(1R)-1-[3-(3-chloro-4-methylphenyl)imidazol-4-yl]propan-1-amine

C13H16ClN3 — CID 104941641

IUPAC(1R)-1-[3-(3-chloro-4-methylphenyl)imidazol-4-yl]propan-1-amine
SMILESCC[C@@H](N)c1cncn1-c1ccc(C)c(Cl)c1
InChIInChI=1S/C13H16ClN3/c1-3-12(15)13-7-16-8-17(13)10-5-4-9(2)11(14)6-10/h4-8,12H,3,15H2,1-2H3/t12-/m1/s1
InChIKeyDTGJVSAVIPMVTI-GFCCVEGCSA-N
MW249.75 g/mol
LogP3.24
Rot. Bonds3

About (1R)-1-[3-(3-chloro-4-methylphenyl)imidazol-4-yl]propan-1-amine

(1R)-1-[3-(3-chloro-4-methylphenyl)imidazol-4-yl]propan-1-amine (PubChem CID 104941641) has the molecular formula C13H16ClN3 and a molecular weight of 249.75 g/mol. Its IUPAC name is (1R)-1-[3-(3-chloro-4-methylphenyl)imidazol-4-yl]propan-1-amine.

Molecular Properties

Compound Name(1R)-1-[3-(3-chloro-4-methylphenyl)imidazol-4-yl]propan-1-amine
PubChem CID104941641
Molecular FormulaC13H16ClN3
Molecular Weight249.75 g/mol
Exact Mass249.10
IUPAC Name(1R)-1-[3-(3-chloro-4-methylphenyl)imidazol-4-yl]propan-1-amine
SMILESCC[C@@H](N)c1cncn1-c1ccc(C)c(Cl)c1
InChIInChI=1S/C13H16ClN3/c1-3-12(15)13-7-16-8-17(13)10-5-4-9(2)11(14)6-10/h4-8,12H,3,15H2,1-2H3/t12-/m1/s1
InChIKeyDTGJVSAVIPMVTI-GFCCVEGCSA-N
XLogP3.24
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.75
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (1R)-1-[3-(3-chloro-4-methylphenyl)imidazol-4-yl]propan-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-[3-(3-chloro-4-methylphenyl)imidazol-4-yl]ethanamine
CID 114702831
(1R)-1-[3-(4-ethyl-3-methylphenyl)imidazol-4-yl]propan-1-amine
CID 114250822
(1R)-1-[3-(2-chloro-5-methylphenyl)imidazol-4-yl]propan-1-amine
CID 107641143
(1R)-1-[3-(3-fluoro-4-methoxyphenyl)imidazol-4-yl]propan-1-amine
CID 104941535
(1R)-1-(3-quinolin-6-ylimidazol-4-yl)propan-1-amine
CID 104942904
(1R)-1-[3-(4-butylphenyl)imidazol-4-yl]propan-1-amine
CID 104941487
1-[3-(3-bromo-4-methylphenyl)imidazol-4-yl]-3-methylbutan-1-amine
CID 114706014
1-[3-(3,4-dimethylphenyl)imidazol-4-yl]ethanamine
CID 114703383
1-[3-(4-fluoro-3-methylphenyl)imidazol-4-yl]-3-methylbutan-1-amine
CID 114705691
1-[1-(3-chloro-4-methylphenyl)triazol-4-yl]propan-1-amine
CID 106226670
1-[3-(4-chloro-3-fluorophenyl)imidazol-4-yl]ethanamine
CID 114705178
1-[3-(3-bromo-4-chlorophenyl)imidazol-4-yl]ethanamine
CID 114706646

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[3-(3-chloro-4-methylphenyl)imidazol-4-yl]propan-1-amine?
The IUPAC name of (1R)-1-[3-(3-chloro-4-methylphenyl)imidazol-4-yl]propan-1-amine (CID 104941641) is (1R)-1-[3-(3-chloro-4-methylphenyl)imidazol-4-yl]propan-1-amine.
What is the SMILES notation for (1R)-1-[3-(3-chloro-4-methylphenyl)imidazol-4-yl]propan-1-amine?
The canonical SMILES for (1R)-1-[3-(3-chloro-4-methylphenyl)imidazol-4-yl]propan-1-amine is CC[C@@H](N)c1cncn1-c1ccc(C)c(Cl)c1.
What is the InChIKey of (1R)-1-[3-(3-chloro-4-methylphenyl)imidazol-4-yl]propan-1-amine?
The InChIKey is DTGJVSAVIPMVTI-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H16ClN3/c1-3-12(15)13-7-16-8-17(13)10-5-4-9(2)11(14)6-10/h4-8,12H,3,15H2,1-2H3/t12-/m1/s1.
What are the key properties of (1R)-1-[3-(3-chloro-4-methylphenyl)imidazol-4-yl]propan-1-amine?
(1R)-1-[3-(3-chloro-4-methylphenyl)imidazol-4-yl]propan-1-amine has a molecular weight of 249.75 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[3-(3-chloro-4-methylphenyl)imidazol-4-yl]propan-1-amine is sourced from PubChem (CID 104941641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).