cyclobutyl N-[3-(aminomethyl)phenyl]carbamate

C12H16N2O2 — CID 62139708

IUPACcyclobutyl N-[3-(aminomethyl)phenyl]carbamate
SMILESNCc1cccc(NC(=O)OC2CCC2)c1
InChIInChI=1S/C12H16N2O2/c13-8-9-3-1-4-10(7-9)14-12(15)16-11-5-2-6-11/h1,3-4,7,11H,2,5-6,8,13H2,(H,14,15)
InChIKeyQOIJMFZKJNACJG-UHFFFAOYSA-N
MW220.27 g/mol
LogP2.25
Rot. Bonds3

About cyclobutyl N-[3-(aminomethyl)phenyl]carbamate

cyclobutyl N-[3-(aminomethyl)phenyl]carbamate (PubChem CID 62139708) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is cyclobutyl N-[3-(aminomethyl)phenyl]carbamate.

Molecular Properties

Compound Namecyclobutyl N-[3-(aminomethyl)phenyl]carbamate
PubChem CID62139708
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Namecyclobutyl N-[3-(aminomethyl)phenyl]carbamate
SMILESNCc1cccc(NC(=O)OC2CCC2)c1
InChIInChI=1S/C12H16N2O2/c13-8-9-3-1-4-10(7-9)14-12(15)16-11-5-2-6-11/h1,3-4,7,11H,2,5-6,8,13H2,(H,14,15)
InChIKeyQOIJMFZKJNACJG-UHFFFAOYSA-N
XLogP2.25
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

cyclopentyl N-[3-(aminomethyl)phenyl]carbamate
CID 43309315
N-[3-(aminomethyl)phenyl]-3-cyclobutyloxypropanamide
CID 55041403
N-[3-(aminomethyl)phenyl]cyclopropanecarboxamide;hydrochloride
CID 155822223
propyl N-[3-(aminomethyl)phenyl]carbamate
CID 43309364
N-[3-(aminomethyl)phenyl]-2-[cyclohexyl(methyl)amino]acetamide
CID 16782283
cyclobutyl N-(4-aminophenyl)carbamate
CID 62139706
2-amino-N-[3-(cyclohexyloxymethyl)phenyl]acetamide;hydrochloride
CID 119306238
(1R,5R)-N-[3-(aminomethyl)phenyl]-3-azabicyclo[3.3.1]nonane-3-carboxamide
CID 74243413
N-[3-(aminomethyl)phenyl]acetamide;hydrochloride
CID 2760945
(4-aminocyclohexyl) N-(3-methylphenyl)carbamate
CID 79337441
3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-N-[3-(aminomethyl)phenyl]propanamide
CID 115559140
N-[3-(aminomethyl)phenyl]-3-(3-methoxypiperidin-1-yl)propanamide
CID 102956603

Frequently Asked Questions

What is the IUPAC name of cyclobutyl N-[3-(aminomethyl)phenyl]carbamate?
The IUPAC name of cyclobutyl N-[3-(aminomethyl)phenyl]carbamate (CID 62139708) is cyclobutyl N-[3-(aminomethyl)phenyl]carbamate.
What is the SMILES notation for cyclobutyl N-[3-(aminomethyl)phenyl]carbamate?
The canonical SMILES for cyclobutyl N-[3-(aminomethyl)phenyl]carbamate is NCc1cccc(NC(=O)OC2CCC2)c1.
What is the InChIKey of cyclobutyl N-[3-(aminomethyl)phenyl]carbamate?
The InChIKey is QOIJMFZKJNACJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c13-8-9-3-1-4-10(7-9)14-12(15)16-11-5-2-6-11/h1,3-4,7,11H,2,5-6,8,13H2,(H,14,15).
What are the key properties of cyclobutyl N-[3-(aminomethyl)phenyl]carbamate?
cyclobutyl N-[3-(aminomethyl)phenyl]carbamate has a molecular weight of 220.27 g/mol, XLogP of 2.25, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutyl N-[3-(aminomethyl)phenyl]carbamate is sourced from PubChem (CID 62139708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).