1-(4-chlorophenyl)-N-[(3-methylimidazol-4-yl)methyl]propan-1-amine

C14H18ClN3 — CID 63000910

IUPAC1-(4-chlorophenyl)-N-[(3-methylimidazol-4-yl)methyl]propan-1-amine
SMILESCCC(NCc1cncn1C)c1ccc(Cl)cc1
InChIInChI=1S/C14H18ClN3/c1-3-14(11-4-6-12(15)7-5-11)17-9-13-8-16-10-18(13)2/h4-8,10,14,17H,3,9H2,1-2H3
InChIKeyQIHIWBVMPFOPAU-UHFFFAOYSA-N
MW263.77 g/mol
LogP3.31
Rot. Bonds5

About 1-(4-chlorophenyl)-N-[(3-methylimidazol-4-yl)methyl]propan-1-amine

1-(4-chlorophenyl)-N-[(3-methylimidazol-4-yl)methyl]propan-1-amine (PubChem CID 63000910) has the molecular formula C14H18ClN3 and a molecular weight of 263.77 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-[(3-methylimidazol-4-yl)methyl]propan-1-amine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-[(3-methylimidazol-4-yl)methyl]propan-1-amine
PubChem CID63000910
Molecular FormulaC14H18ClN3
Molecular Weight263.77 g/mol
Exact Mass263.12
IUPAC Name1-(4-chlorophenyl)-N-[(3-methylimidazol-4-yl)methyl]propan-1-amine
SMILESCCC(NCc1cncn1C)c1ccc(Cl)cc1
InChIInChI=1S/C14H18ClN3/c1-3-14(11-4-6-12(15)7-5-11)17-9-13-8-16-10-18(13)2/h4-8,10,14,17H,3,9H2,1-2H3
InChIKeyQIHIWBVMPFOPAU-UHFFFAOYSA-N
XLogP3.31
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.77
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(4-chlorophenyl)-N-[(3-methylimidazol-4-yl)methyl]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

N-[(3-methylimidazol-4-yl)methyl]-1-(4-methylphenyl)propan-1-amine
CID 62998625
1-(4-methoxyphenyl)-N-[(3-methylimidazol-4-yl)methyl]propan-1-amine
CID 62997731
N-[(3-methylimidazol-4-yl)methyl]-1-phenylbutan-1-amine
CID 62999017
1-(4-chlorophenyl)-N-[(3-methylimidazol-4-yl)methyl]propan-2-amine
CID 63001280
1-(4-bromophenyl)-N-[(3-propan-2-ylimidazol-4-yl)methyl]propan-1-amine
CID 66132292
2-[(3-methylimidazol-4-yl)methylamino]butan-1-ol
CID 62998061
(2S)-2-[(3-methylimidazol-4-yl)methylamino]butan-1-ol
CID 104980400
1-(4-fluorophenyl)-N-[(3-methylimidazol-4-yl)methyl]ethanamine
CID 62997912
1-(4-chlorophenyl)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]propan-1-amine
CID 103777663
(1R)-N-[(3-methylimidazol-4-yl)methyl]-1-pyridin-4-ylethanamine
CID 81405813
4-butan-2-yl-N-[(3-methylimidazol-4-yl)methyl]aniline
CID 66117869
1-(4-chlorophenyl)-N-[(4-methylphenyl)methyl]propan-1-amine
CID 43081616

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-[(3-methylimidazol-4-yl)methyl]propan-1-amine?
The IUPAC name of 1-(4-chlorophenyl)-N-[(3-methylimidazol-4-yl)methyl]propan-1-amine (CID 63000910) is 1-(4-chlorophenyl)-N-[(3-methylimidazol-4-yl)methyl]propan-1-amine.
What is the SMILES notation for 1-(4-chlorophenyl)-N-[(3-methylimidazol-4-yl)methyl]propan-1-amine?
The canonical SMILES for 1-(4-chlorophenyl)-N-[(3-methylimidazol-4-yl)methyl]propan-1-amine is CCC(NCc1cncn1C)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-N-[(3-methylimidazol-4-yl)methyl]propan-1-amine?
The InChIKey is QIHIWBVMPFOPAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3/c1-3-14(11-4-6-12(15)7-5-11)17-9-13-8-16-10-18(13)2/h4-8,10,14,17H,3,9H2,1-2H3.
What are the key properties of 1-(4-chlorophenyl)-N-[(3-methylimidazol-4-yl)methyl]propan-1-amine?
1-(4-chlorophenyl)-N-[(3-methylimidazol-4-yl)methyl]propan-1-amine has a molecular weight of 263.77 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-[(3-methylimidazol-4-yl)methyl]propan-1-amine is sourced from PubChem (CID 63000910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).