2-(aminomethyl)-1-(2,3-dimethylphenyl)pentan-1-one

C14H21NO — CID 116574492

IUPAC2-(aminomethyl)-1-(2,3-dimethylphenyl)pentan-1-one
SMILESCCCC(CN)C(=O)c1cccc(C)c1C
InChIInChI=1S/C14H21NO/c1-4-6-12(9-15)14(16)13-8-5-7-10(2)11(13)3/h5,7-8,12H,4,6,9,15H2,1-3H3
InChIKeyJXOFFPKXICDFCL-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.86
Rot. Bonds5

About 2-(aminomethyl)-1-(2,3-dimethylphenyl)pentan-1-one

2-(aminomethyl)-1-(2,3-dimethylphenyl)pentan-1-one (PubChem CID 116574492) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 2-(aminomethyl)-1-(2,3-dimethylphenyl)pentan-1-one.

Molecular Properties

Compound Name2-(aminomethyl)-1-(2,3-dimethylphenyl)pentan-1-one
PubChem CID116574492
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name2-(aminomethyl)-1-(2,3-dimethylphenyl)pentan-1-one
SMILESCCCC(CN)C(=O)c1cccc(C)c1C
InChIInChI=1S/C14H21NO/c1-4-6-12(9-15)14(16)13-8-5-7-10(2)11(13)3/h5,7-8,12H,4,6,9,15H2,1-3H3
InChIKeyJXOFFPKXICDFCL-UHFFFAOYSA-N
XLogP2.86
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(aminomethyl)-1-(2,3-dimethylphenyl)pentan-1-one 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

N-(1-aminopropan-2-yl)-N,2,3-trimethylbenzamide
CID 115737352
(2S)-2-amino-1-(2,3-dimethylphenyl)-3-methylbutan-1-one
CID 175812414
2,3-dimethyl-N-pentan-2-ylbenzamide
CID 71253299
3-(aminomethyl)-1-(2-methylphenyl)hexan-2-one
CID 116574564
3-(aminomethyl)-1-(2,3-dimethylphenyl)pentan-1-one
CID 116596230
2-amino-1-(2,3-dimethylphenyl)-4-methoxybutan-1-one
CID 116567259
1-(2,3-dimethylphenyl)-2-ethoxybutan-1-one
CID 116707669
2-(aminomethyl)-1-(3-ethylphenyl)pentan-1-one
CID 116574550
N-(1-aminopropan-2-yl)-2,3-dimethylbenzamide
CID 63731328
1-(2-ethylphenyl)-2-propylpentan-1-one
CID 146006581
aminomethyl 2,3-dimethylbenzoate
CID 66871801
2,3-dimethylbenzohydrazide
CID 16790549

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-1-(2,3-dimethylphenyl)pentan-1-one?
The IUPAC name of 2-(aminomethyl)-1-(2,3-dimethylphenyl)pentan-1-one (CID 116574492) is 2-(aminomethyl)-1-(2,3-dimethylphenyl)pentan-1-one.
What is the SMILES notation for 2-(aminomethyl)-1-(2,3-dimethylphenyl)pentan-1-one?
The canonical SMILES for 2-(aminomethyl)-1-(2,3-dimethylphenyl)pentan-1-one is CCCC(CN)C(=O)c1cccc(C)c1C.
What is the InChIKey of 2-(aminomethyl)-1-(2,3-dimethylphenyl)pentan-1-one?
The InChIKey is JXOFFPKXICDFCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-4-6-12(9-15)14(16)13-8-5-7-10(2)11(13)3/h5,7-8,12H,4,6,9,15H2,1-3H3.
What are the key properties of 2-(aminomethyl)-1-(2,3-dimethylphenyl)pentan-1-one?
2-(aminomethyl)-1-(2,3-dimethylphenyl)pentan-1-one has a molecular weight of 219.33 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-1-(2,3-dimethylphenyl)pentan-1-one is sourced from PubChem (CID 116574492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).