tert-Butyl (2-(benzylamino)ethyl)carbamate

Name: tert-Butyl (2-(benzylamino)ethyl)carbamate
SKU: PI174799521
Rating: 5 (1 reviews)

Catalog NumberPI174799521

CAS Number174799-52-1

CategorySleep Disorder Agents Intermediates

tert-Butyl (2-(benzylamino)ethyl)carbamate

Product Details

Purity	95%
Molecular Formula	C14H22N2O2
Molecular Weight	250.34
Molar Refractivity	72.37

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Other Identifiers

Pubchem ID	10634443
InChI Key	ZSJCBAQDXIZTTC-UHFFFAOYSA-N
MDL Number	MFCD04114275

Computed Properties

Aromatic Heavy Atoms Number	6
BBB Permeant	Yes
Bioavailability Score	0.55
Brenk	0.0 alert
Consensus Log Po/w	2.28
CYP1A2Inhibitor	No
CYP2C19Inhibitor	No
CYP2C9Inhibitor	No
CYP2D6Inhibitor	Yes
CYP3A4Inhibitor	No
Egan	0.0
Fraction Csp3	0.5
Ghose	None
GI Absorption	High
Heavy Atom Count	18
Hydrogen Bond Acceptor Count	3.0
Hydrogen Bond Donor Count	2.0
Leadlikeness	1.0
Lipinski	0.0
Log Kp (Skin Permeation)	-6.41 cm/s
Log Po/w (iLOGP)	3.13
Log Po/w (MLOGP)	2.07
Log Po/w (SILICOS-IT)	2.06
Log Po/w (WLOGP)	2.15
Log Po/w (XLOGP3)	1.99
Muegge	0.0
PAINS	0.0 alert
P-gp Substrate	No
Rotatable Bond Count	8
Synthetic Accessibility	2.06
Topological Polar Surface Area	50.36 Å²
Veber	0.0

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