[1-(aminomethyl)cyclopropyl]-(2-methylphenyl)methanamine

C12H18N2 — CID 116943451

IUPAC[1-(aminomethyl)cyclopropyl]-(2-methylphenyl)methanamine
SMILESCc1ccccc1C(N)C1(CN)CC1
InChIInChI=1S/C12H18N2/c1-9-4-2-3-5-10(9)11(14)12(8-13)6-7-12/h2-5,11H,6-8,13-14H2,1H3
InChIKeyKFBXGBGFHATODJ-UHFFFAOYSA-N
MW190.29 g/mol
LogP1.73
Rot. Bonds3

About [1-(aminomethyl)cyclopropyl]-(2-methylphenyl)methanamine

[1-(aminomethyl)cyclopropyl]-(2-methylphenyl)methanamine (PubChem CID 116943451) has the molecular formula C12H18N2 and a molecular weight of 190.29 g/mol. Its IUPAC name is [1-(aminomethyl)cyclopropyl]-(2-methylphenyl)methanamine.

Molecular Properties

Compound Name[1-(aminomethyl)cyclopropyl]-(2-methylphenyl)methanamine
PubChem CID116943451
Molecular FormulaC12H18N2
Molecular Weight190.29 g/mol
Exact Mass190.15
IUPAC Name[1-(aminomethyl)cyclopropyl]-(2-methylphenyl)methanamine
SMILESCc1ccccc1C(N)C1(CN)CC1
InChIInChI=1S/C12H18N2/c1-9-4-2-3-5-10(9)11(14)12(8-13)6-7-12/h2-5,11H,6-8,13-14H2,1H3
InChIKeyKFBXGBGFHATODJ-UHFFFAOYSA-N
XLogP1.73
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 ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze [1-(aminomethyl)cyclopropyl]-(2-methylphenyl)methanamine 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

(S)-[4-(aminomethyl)oxan-4-yl]-(2-methylphenyl)methanol
CID 97035219
[1-(aminomethyl)cyclopropyl]-(2-methoxy-4,5-dimethylphenyl)methanamine
CID 116943373
1-[amino-(2-methylphenyl)methyl]-N,N-dimethylcyclohexan-1-amine
CID 79066805
1-[amino-(2-methylphenyl)methyl]cyclopropane-1-carbonitrile
CID 116943013
(S)-[1-(aminomethyl)-3-methylcyclobutyl]-(2-methylphenyl)methanol
CID 97035285
[1-(aminomethyl)cyclobutyl]-phenylmethanamine
CID 116943782
[1-(aminomethyl)cyclopropyl]-(4-tert-butyl-2,6-dimethylphenyl)methanamine
CID 116943405
[1-[(1R)-2-amino-1-(2-methylphenyl)ethyl]cyclopentyl]methanol
CID 125454181
(2-methylphenyl)-(4-phenyloxan-4-yl)methanamine
CID 63081175
[1-(aminomethyl)cycloheptyl]-(2,3-dimethylphenyl)methanol
CID 79137587
[1-(aminomethyl)cyclopropyl]-(2,4-dimethoxyphenyl)methanamine
CID 116943372
(2-bromophenyl)-(1-propylcyclopropyl)methanamine
CID 82379529

Frequently Asked Questions

What is the IUPAC name of [1-(aminomethyl)cyclopropyl]-(2-methylphenyl)methanamine?
The IUPAC name of [1-(aminomethyl)cyclopropyl]-(2-methylphenyl)methanamine (CID 116943451) is [1-(aminomethyl)cyclopropyl]-(2-methylphenyl)methanamine.
What is the SMILES notation for [1-(aminomethyl)cyclopropyl]-(2-methylphenyl)methanamine?
The canonical SMILES for [1-(aminomethyl)cyclopropyl]-(2-methylphenyl)methanamine is Cc1ccccc1C(N)C1(CN)CC1.
What is the InChIKey of [1-(aminomethyl)cyclopropyl]-(2-methylphenyl)methanamine?
The InChIKey is KFBXGBGFHATODJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2/c1-9-4-2-3-5-10(9)11(14)12(8-13)6-7-12/h2-5,11H,6-8,13-14H2,1H3.
What are the key properties of [1-(aminomethyl)cyclopropyl]-(2-methylphenyl)methanamine?
[1-(aminomethyl)cyclopropyl]-(2-methylphenyl)methanamine has a molecular weight of 190.29 g/mol, XLogP of 1.73, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(aminomethyl)cyclopropyl]-(2-methylphenyl)methanamine is sourced from PubChem (CID 116943451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).