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

C15H21N3 — CID 114250822

IUPAC(1R)-1-[3-(4-ethyl-3-methylphenyl)imidazol-4-yl]propan-1-amine
SMILESCCc1ccc(-n2cncc2[C@H](N)CC)cc1C
InChIInChI=1S/C15H21N3/c1-4-12-6-7-13(8-11(12)3)18-10-17-9-15(18)14(16)5-2/h6-10,14H,4-5,16H2,1-3H3/t14-/m1/s1
InChIKeyDUAWWDLZKFLPOY-CQSZACIVSA-N
MW243.35 g/mol
LogP3.15
Rot. Bonds4

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

(1R)-1-[3-(4-ethyl-3-methylphenyl)imidazol-4-yl]propan-1-amine (PubChem CID 114250822) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is (1R)-1-[3-(4-ethyl-3-methylphenyl)imidazol-4-yl]propan-1-amine.

Molecular Properties

Compound Name(1R)-1-[3-(4-ethyl-3-methylphenyl)imidazol-4-yl]propan-1-amine
PubChem CID114250822
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC Name(1R)-1-[3-(4-ethyl-3-methylphenyl)imidazol-4-yl]propan-1-amine
SMILESCCc1ccc(-n2cncc2[C@H](N)CC)cc1C
InChIInChI=1S/C15H21N3/c1-4-12-6-7-13(8-11(12)3)18-10-17-9-15(18)14(16)5-2/h6-10,14H,4-5,16H2,1-3H3/t14-/m1/s1
InChIKeyDUAWWDLZKFLPOY-CQSZACIVSA-N
XLogP3.15
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (1R)-1-[3-(4-ethyl-3-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

(1R)-1-[3-(3-chloro-4-methylphenyl)imidazol-4-yl]propan-1-amine
CID 104941641
(1R)-1-[3-(3-fluoro-4-methoxyphenyl)imidazol-4-yl]propan-1-amine
CID 104941535
2-amino-2-[3-(4-bromo-3-methylphenyl)imidazol-4-yl]ethanol
CID 114703009
(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-(4-fluoro-3-methylphenyl)imidazol-4-yl]-3-methylbutan-1-amine
CID 114705691
1-[3-(3,4-dimethylphenyl)imidazol-4-yl]ethanamine
CID 114703383
1-[3-(3-bromo-4-methylphenyl)imidazol-4-yl]-3-methylbutan-1-amine
CID 114706014
(1R)-1-[3-(2-chloro-5-methylphenyl)imidazol-4-yl]propan-1-amine
CID 107641143
(1R)-1-[3-[3-chloro-5-(trifluoromethyl)phenyl]imidazol-4-yl]propan-1-amine
CID 104944066
(1R)-1-[3-(2-bromo-4-chlorophenyl)imidazol-4-yl]propan-1-amine
CID 104943468
(1R)-1-[3-(2,5-difluorophenyl)imidazol-4-yl]propan-1-amine
CID 104941719

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[3-(4-ethyl-3-methylphenyl)imidazol-4-yl]propan-1-amine?
The IUPAC name of (1R)-1-[3-(4-ethyl-3-methylphenyl)imidazol-4-yl]propan-1-amine (CID 114250822) is (1R)-1-[3-(4-ethyl-3-methylphenyl)imidazol-4-yl]propan-1-amine.
What is the SMILES notation for (1R)-1-[3-(4-ethyl-3-methylphenyl)imidazol-4-yl]propan-1-amine?
The canonical SMILES for (1R)-1-[3-(4-ethyl-3-methylphenyl)imidazol-4-yl]propan-1-amine is CCc1ccc(-n2cncc2[C@H](N)CC)cc1C.
What is the InChIKey of (1R)-1-[3-(4-ethyl-3-methylphenyl)imidazol-4-yl]propan-1-amine?
The InChIKey is DUAWWDLZKFLPOY-CQSZACIVSA-N. The full InChI is InChI=1S/C15H21N3/c1-4-12-6-7-13(8-11(12)3)18-10-17-9-15(18)14(16)5-2/h6-10,14H,4-5,16H2,1-3H3/t14-/m1/s1.
What are the key properties of (1R)-1-[3-(4-ethyl-3-methylphenyl)imidazol-4-yl]propan-1-amine?
(1R)-1-[3-(4-ethyl-3-methylphenyl)imidazol-4-yl]propan-1-amine has a molecular weight of 243.35 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[3-(4-ethyl-3-methylphenyl)imidazol-4-yl]propan-1-amine is sourced from PubChem (CID 114250822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).