tert-butyl N-[[2-[(cyclopropylamino)methyl]phenyl]methyl]carbamate

C16H24N2O2 — CID 107248664

IUPACtert-butyl N-[[2-[(cyclopropylamino)methyl]phenyl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCc1ccccc1CNC1CC1
InChIInChI=1S/C16H24N2O2/c1-16(2,3)20-15(19)18-11-13-7-5-4-6-12(13)10-17-14-8-9-14/h4-7,14,17H,8-11H2,1-3H3,(H,18,19)
InChIKeyJVIUWACXUXORML-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.96
Rot. Bonds5

About tert-butyl N-[[2-[(cyclopropylamino)methyl]phenyl]methyl]carbamate

tert-butyl N-[[2-[(cyclopropylamino)methyl]phenyl]methyl]carbamate (PubChem CID 107248664) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is tert-butyl N-[[2-[(cyclopropylamino)methyl]phenyl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[2-[(cyclopropylamino)methyl]phenyl]methyl]carbamate
PubChem CID107248664
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Nametert-butyl N-[[2-[(cyclopropylamino)methyl]phenyl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCc1ccccc1CNC1CC1
InChIInChI=1S/C16H24N2O2/c1-16(2,3)20-15(19)18-11-13-7-5-4-6-12(13)10-17-14-8-9-14/h4-7,14,17H,8-11H2,1-3H3,(H,18,19)
InChIKeyJVIUWACXUXORML-UHFFFAOYSA-N
XLogP2.96
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[[2-[(cyclohexylamino)methyl]phenyl]methyl]carbamate
CID 103698918
tert-butyl N-[[2-[(azetidin-3-ylamino)methyl]phenyl]methyl]carbamate
CID 107248667
tert-butyl 4-[[2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]methylamino]azepane-1-carboxylate
CID 113383797
tert-butyl N-[[2-(cyclopropylamino)phenyl]methyl]carbamate
CID 107247266
tert-butyl N-[[2-(acetamidomethyl)phenyl]methyl]carbamate
CID 576438
tert-butyl N-[[2-(ethylaminomethyl)phenyl]methyl]carbamate
CID 107248645
tert-butyl N-[[2-(oxan-4-ylamino)phenyl]methyl]carbamate
CID 107247276
tert-butyl N-[3-[(2-methoxyphenyl)methylamino]cyclopentyl]carbamate
CID 103719601
tert-butyl N-[(2-methoxyphenyl)methyl]carbamate;hydrochloride
CID 174676513
tert-butyl N-[(2-chloro-3-hydroxyphenyl)methyl]carbamate
CID 135396493
lithium 2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]benzoate
CID 170591077
tert-butyl N-[[2-(2-oxohexyl)phenyl]methyl]carbamate
CID 165353198

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[2-[(cyclopropylamino)methyl]phenyl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[2-[(cyclopropylamino)methyl]phenyl]methyl]carbamate (CID 107248664) is tert-butyl N-[[2-[(cyclopropylamino)methyl]phenyl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[2-[(cyclopropylamino)methyl]phenyl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[2-[(cyclopropylamino)methyl]phenyl]methyl]carbamate is CC(C)(C)OC(=O)NCc1ccccc1CNC1CC1.
What is the InChIKey of tert-butyl N-[[2-[(cyclopropylamino)methyl]phenyl]methyl]carbamate?
The InChIKey is JVIUWACXUXORML-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-16(2,3)20-15(19)18-11-13-7-5-4-6-12(13)10-17-14-8-9-14/h4-7,14,17H,8-11H2,1-3H3,(H,18,19).
What are the key properties of tert-butyl N-[[2-[(cyclopropylamino)methyl]phenyl]methyl]carbamate?
tert-butyl N-[[2-[(cyclopropylamino)methyl]phenyl]methyl]carbamate has a molecular weight of 276.38 g/mol, XLogP of 2.96, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[2-[(cyclopropylamino)methyl]phenyl]methyl]carbamate is sourced from PubChem (CID 107248664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).