1-(2-chloro-3-methylphenyl)-N-methylbutan-1-amine

C12H18ClN — CID 114982147

IUPAC1-(2-chloro-3-methylphenyl)-N-methylbutan-1-amine
SMILESCCCC(NC)c1cccc(C)c1Cl
InChIInChI=1S/C12H18ClN/c1-4-6-11(14-3)10-8-5-7-9(2)12(10)13/h5,7-8,11,14H,4,6H2,1-3H3
InChIKeyAGBJTFPJDXSXRG-UHFFFAOYSA-N
MW211.74 g/mol
LogP3.71
Rot. Bonds4

About 1-(2-chloro-3-methylphenyl)-N-methylbutan-1-amine

1-(2-chloro-3-methylphenyl)-N-methylbutan-1-amine (PubChem CID 114982147) has the molecular formula C12H18ClN and a molecular weight of 211.74 g/mol. Its IUPAC name is 1-(2-chloro-3-methylphenyl)-N-methylbutan-1-amine.

Molecular Properties

Compound Name1-(2-chloro-3-methylphenyl)-N-methylbutan-1-amine
PubChem CID114982147
Molecular FormulaC12H18ClN
Molecular Weight211.74 g/mol
Exact Mass211.11
IUPAC Name1-(2-chloro-3-methylphenyl)-N-methylbutan-1-amine
SMILESCCCC(NC)c1cccc(C)c1Cl
InChIInChI=1S/C12H18ClN/c1-4-6-11(14-3)10-8-5-7-9(2)12(10)13/h5,7-8,11,14H,4,6H2,1-3H3
InChIKeyAGBJTFPJDXSXRG-UHFFFAOYSA-N
XLogP3.71
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.74
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-(2-chloro-3-methylphenyl)-N-methylbutan-1-amine 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-(2-chloro-3-methylphenyl)-N-ethylbutan-1-amine
CID 114982245
1-(2-chlorophenyl)-N-methylbutan-1-amine
CID 61030154
1-(2-chloro-3-methylphenyl)-N-ethylpentan-1-amine
CID 115832857
1-(2-chloro-3-methylphenyl)hexylhydrazine
CID 105294703
1-(2,3-dimethylphenyl)-N-methylpentan-1-amine
CID 79405236
1-(2-chloro-3-methylphenyl)-3-phenyl-N-propylpropan-1-amine
CID 115794374
1-(2-chloro-3-methylphenyl)-3-ethyl-N-propylpentan-1-amine
CID 105028424
2-(2-chloro-3-fluorophenyl)-1-(2-chloro-3-methylphenyl)-N-methylethanamine
CID 105032442
1-(2,3-dichlorophenyl)-N-ethylbutan-1-amine
CID 62790364
1-(2-chloro-3-methylphenyl)-3-methyl-N-propylpentan-1-amine
CID 115846420
1-(2-chloro-3-methylphenyl)-N-ethylpent-4-en-1-amine
CID 104987508
1-(2-fluoro-3-methylphenyl)-N-methyloctan-1-amine
CID 115832230

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-3-methylphenyl)-N-methylbutan-1-amine?
The IUPAC name of 1-(2-chloro-3-methylphenyl)-N-methylbutan-1-amine (CID 114982147) is 1-(2-chloro-3-methylphenyl)-N-methylbutan-1-amine.
What is the SMILES notation for 1-(2-chloro-3-methylphenyl)-N-methylbutan-1-amine?
The canonical SMILES for 1-(2-chloro-3-methylphenyl)-N-methylbutan-1-amine is CCCC(NC)c1cccc(C)c1Cl.
What is the InChIKey of 1-(2-chloro-3-methylphenyl)-N-methylbutan-1-amine?
The InChIKey is AGBJTFPJDXSXRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN/c1-4-6-11(14-3)10-8-5-7-9(2)12(10)13/h5,7-8,11,14H,4,6H2,1-3H3.
What are the key properties of 1-(2-chloro-3-methylphenyl)-N-methylbutan-1-amine?
1-(2-chloro-3-methylphenyl)-N-methylbutan-1-amine has a molecular weight of 211.74 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-3-methylphenyl)-N-methylbutan-1-amine is sourced from PubChem (CID 114982147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).