[1-(aminomethyl)cyclobutyl]-phenylmethanamine

C12H18N2 — CID 116943782

IUPAC[1-(aminomethyl)cyclobutyl]-phenylmethanamine
SMILESNCC1(C(N)c2ccccc2)CCC1
InChIInChI=1S/C12H18N2/c13-9-12(7-4-8-12)11(14)10-5-2-1-3-6-10/h1-3,5-6,11H,4,7-9,13-14H2
InChIKeyJQXZELYGBJFURV-UHFFFAOYSA-N
MW190.29 g/mol
LogP1.82
Rot. Bonds3

About [1-(aminomethyl)cyclobutyl]-phenylmethanamine

[1-(aminomethyl)cyclobutyl]-phenylmethanamine (PubChem CID 116943782) has the molecular formula C12H18N2 and a molecular weight of 190.29 g/mol. Its IUPAC name is [1-(aminomethyl)cyclobutyl]-phenylmethanamine.

Molecular Properties

Compound Name[1-(aminomethyl)cyclobutyl]-phenylmethanamine
PubChem CID116943782
Molecular FormulaC12H18N2
Molecular Weight190.29 g/mol
Exact Mass190.15
IUPAC Name[1-(aminomethyl)cyclobutyl]-phenylmethanamine
SMILESNCC1(C(N)c2ccccc2)CCC1
InChIInChI=1S/C12H18N2/c13-9-12(7-4-8-12)11(14)10-5-2-1-3-6-10/h1-3,5-6,11H,4,7-9,13-14H2
InChIKeyJQXZELYGBJFURV-UHFFFAOYSA-N
XLogP1.82
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze [1-(aminomethyl)cyclobutyl]-phenylmethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[1-(aminomethyl)cyclobutyl]-(4-propylphenyl)methanamine
CID 116943807
[1-(aminomethyl)cyclobutyl]-(3-chloro-4-fluorophenyl)methanamine
CID 116943859
1-[(R)-amino(phenyl)methyl]cycloheptan-1-ol
CID 22084843
[1-[amino(pyridin-2-yl)methyl]cyclobutyl]methanol
CID 116944252
1-[(R)-amino(phenyl)methyl]-N,N-dimethylcyclobutan-1-amine
CID 68559159
[1-(aminomethyl)cyclopropyl]-(4-methylsulfanylphenyl)methanamine
CID 116943422
[1-[amino-(4-bromophenyl)methyl]cyclobutyl]methanol
CID 116944152
[1-(aminomethyl)cyclobutyl]-(3-fluoro-4-methoxyphenyl)methanamine
CID 116943800
[1-(aminomethyl)cyclobutyl]-(3-phenoxyphenyl)methanol
CID 79123408
1-[1-(aminomethyl)cyclohexyl]-3-phenylbutan-1-ol
CID 79138486
[1-(aminomethyl)cyclobutyl]-(5-chlorothiophen-2-yl)methanamine
CID 116943814
[1-(aminomethyl)cyclopropyl]-(2-methylphenyl)methanamine
CID 116943451

Frequently Asked Questions

What is the IUPAC name of [1-(aminomethyl)cyclobutyl]-phenylmethanamine?
The IUPAC name of [1-(aminomethyl)cyclobutyl]-phenylmethanamine (CID 116943782) is [1-(aminomethyl)cyclobutyl]-phenylmethanamine.
What is the SMILES notation for [1-(aminomethyl)cyclobutyl]-phenylmethanamine?
The canonical SMILES for [1-(aminomethyl)cyclobutyl]-phenylmethanamine is NCC1(C(N)c2ccccc2)CCC1.
What is the InChIKey of [1-(aminomethyl)cyclobutyl]-phenylmethanamine?
The InChIKey is JQXZELYGBJFURV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2/c13-9-12(7-4-8-12)11(14)10-5-2-1-3-6-10/h1-3,5-6,11H,4,7-9,13-14H2.
What are the key properties of [1-(aminomethyl)cyclobutyl]-phenylmethanamine?
[1-(aminomethyl)cyclobutyl]-phenylmethanamine has a molecular weight of 190.29 g/mol, XLogP of 1.82, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(aminomethyl)cyclobutyl]-phenylmethanamine is sourced from PubChem (CID 116943782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).