benzyl N-[2-[3-(aminomethyl)phenyl]-2-methylpropyl]carbamate

C19H24N2O2 — CID 90916438

IUPACbenzyl N-[2-[3-(aminomethyl)phenyl]-2-methylpropyl]carbamate
SMILESCC(C)(CNC(=O)OCc1ccccc1)c1cccc(CN)c1
InChIInChI=1S/C19H24N2O2/c1-19(2,17-10-6-9-16(11-17)12-20)14-21-18(22)23-13-15-7-4-3-5-8-15/h3-11H,12-14,20H2,1-2H3,(H,21,22)
InChIKeyJHYUSPBDXRGEPM-UHFFFAOYSA-N
MW312.41 g/mol
LogP3.35
Rot. Bonds6

About benzyl N-[2-[3-(aminomethyl)phenyl]-2-methylpropyl]carbamate

benzyl N-[2-[3-(aminomethyl)phenyl]-2-methylpropyl]carbamate (PubChem CID 90916438) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is benzyl N-[2-[3-(aminomethyl)phenyl]-2-methylpropyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[2-[3-(aminomethyl)phenyl]-2-methylpropyl]carbamate
PubChem CID90916438
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC Namebenzyl N-[2-[3-(aminomethyl)phenyl]-2-methylpropyl]carbamate
SMILESCC(C)(CNC(=O)OCc1ccccc1)c1cccc(CN)c1
InChIInChI=1S/C19H24N2O2/c1-19(2,17-10-6-9-16(11-17)12-20)14-21-18(22)23-13-15-7-4-3-5-8-15/h3-11H,12-14,20H2,1-2H3,(H,21,22)
InChIKeyJHYUSPBDXRGEPM-UHFFFAOYSA-N
XLogP3.35
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl N-(3-amino-2,2-dimethylpropyl)carbamate
CID 5001228
benzyl N-(2,2-dimethylpropyl)carbamate
CID 10846637
methyl 2,2-dimethyl-3-(phenylmethoxycarbonylamino)propanoate
CID 15042555
benzyl N-(phenylmethoxycarbonylaminomethyl)carbamate
CID 13001569
benzyl N-(2-isocyano-2-methylpropyl)carbamate
CID 66524050
benzyl N-(3,3,3-trifluoro-2-formyl-2-methylpropyl)carbamate
CID 10913233
benzyl N-[2-(4-bromophenyl)-2-hydroxypropyl]carbamate
CID 110291658
benzyl N-(2-ethyl-2-hydroxybutyl)carbamate
CID 65112360
benzyl N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)carbamate
CID 103835599
N-[2-methyl-2-(3-phenylmethoxyphenyl)propyl]propanamide
CID 118609735
benzyl 2-amino-2-phenylpropanoate
CID 54322564
(2S)-3-methyl-3-phenyl-2-(phenylmethoxycarbonylaminomethyl)butanoic acid
CID 156758866

Frequently Asked Questions

What is the IUPAC name of benzyl N-[2-[3-(aminomethyl)phenyl]-2-methylpropyl]carbamate?
The IUPAC name of benzyl N-[2-[3-(aminomethyl)phenyl]-2-methylpropyl]carbamate (CID 90916438) is benzyl N-[2-[3-(aminomethyl)phenyl]-2-methylpropyl]carbamate.
What is the SMILES notation for benzyl N-[2-[3-(aminomethyl)phenyl]-2-methylpropyl]carbamate?
The canonical SMILES for benzyl N-[2-[3-(aminomethyl)phenyl]-2-methylpropyl]carbamate is CC(C)(CNC(=O)OCc1ccccc1)c1cccc(CN)c1.
What is the InChIKey of benzyl N-[2-[3-(aminomethyl)phenyl]-2-methylpropyl]carbamate?
The InChIKey is JHYUSPBDXRGEPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2/c1-19(2,17-10-6-9-16(11-17)12-20)14-21-18(22)23-13-15-7-4-3-5-8-15/h3-11H,12-14,20H2,1-2H3,(H,21,22).
What are the key properties of benzyl N-[2-[3-(aminomethyl)phenyl]-2-methylpropyl]carbamate?
benzyl N-[2-[3-(aminomethyl)phenyl]-2-methylpropyl]carbamate has a molecular weight of 312.41 g/mol, XLogP of 3.35, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[2-[3-(aminomethyl)phenyl]-2-methylpropyl]carbamate is sourced from PubChem (CID 90916438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).