1-(2-chlorophenyl)-N-[(3-methylimidazol-4-yl)methyl]ethanamine

C13H16ClN3 — CID 62997890

IUPAC1-(2-chlorophenyl)-N-[(3-methylimidazol-4-yl)methyl]ethanamine
SMILESCC(NCc1cncn1C)c1ccccc1Cl
InChIInChI=1S/C13H16ClN3/c1-10(12-5-3-4-6-13(12)14)16-8-11-7-15-9-17(11)2/h3-7,9-10,16H,8H2,1-2H3
InChIKeyMWWYRDYRMCQIAP-UHFFFAOYSA-N
MW249.75 g/mol
LogP2.92
Rot. Bonds4

About 1-(2-chlorophenyl)-N-[(3-methylimidazol-4-yl)methyl]ethanamine

1-(2-chlorophenyl)-N-[(3-methylimidazol-4-yl)methyl]ethanamine (PubChem CID 62997890) has the molecular formula C13H16ClN3 and a molecular weight of 249.75 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-N-[(3-methylimidazol-4-yl)methyl]ethanamine.

Molecular Properties

Compound Name1-(2-chlorophenyl)-N-[(3-methylimidazol-4-yl)methyl]ethanamine
PubChem CID62997890
Molecular FormulaC13H16ClN3
Molecular Weight249.75 g/mol
Exact Mass249.10
IUPAC Name1-(2-chlorophenyl)-N-[(3-methylimidazol-4-yl)methyl]ethanamine
SMILESCC(NCc1cncn1C)c1ccccc1Cl
InChIInChI=1S/C13H16ClN3/c1-10(12-5-3-4-6-13(12)14)16-8-11-7-15-9-17(11)2/h3-7,9-10,16H,8H2,1-2H3
InChIKeyMWWYRDYRMCQIAP-UHFFFAOYSA-N
XLogP2.92
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.75
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-1-(2-chlorophenyl)-N-[(3-propylimidazol-4-yl)methyl]ethanamine
CID 81377729
1-[2-(difluoromethoxy)phenyl]-N-[(3-methylimidazol-4-yl)methyl]ethanamine
CID 63000114
(1S)-N-[(3-methylimidazol-4-yl)methyl]-1-pyridin-2-ylethanamine
CID 78921600
(1R)-N-[(3-methylimidazol-4-yl)methyl]-1-pyridin-4-ylethanamine
CID 81405813
(1S)-1-(3-fluorophenyl)-N-[(3-methylimidazol-4-yl)methyl]ethanamine
CID 81364798
1-(2-chlorophenyl)-N-[(2-propylpyrazol-3-yl)methyl]ethanamine
CID 114554830
(1S)-1-(2-chlorophenyl)-N-[(1,3-diethylpyrazol-5-yl)methyl]ethanamine
CID 81378307
1-(4-fluorophenyl)-N-[(3-methylimidazol-4-yl)methyl]ethanamine
CID 62997912
(1S)-N-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-1-(2-chlorophenyl)ethanamine
CID 81378218
(1R)-1-(2-chlorophenyl)-N-(pyrazin-2-ylmethyl)ethanamine
CID 81377262
(1S)-1-(2-chlorophenyl)-N-[(1-ethylpyrazol-4-yl)methyl]ethanamine
CID 81378018
1-(2-chlorophenyl)-N-[(3-methyl-4-pyridinyl)methyl]ethanamine
CID 114698542

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-N-[(3-methylimidazol-4-yl)methyl]ethanamine?
The IUPAC name of 1-(2-chlorophenyl)-N-[(3-methylimidazol-4-yl)methyl]ethanamine (CID 62997890) is 1-(2-chlorophenyl)-N-[(3-methylimidazol-4-yl)methyl]ethanamine.
What is the SMILES notation for 1-(2-chlorophenyl)-N-[(3-methylimidazol-4-yl)methyl]ethanamine?
The canonical SMILES for 1-(2-chlorophenyl)-N-[(3-methylimidazol-4-yl)methyl]ethanamine is CC(NCc1cncn1C)c1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)-N-[(3-methylimidazol-4-yl)methyl]ethanamine?
The InChIKey is MWWYRDYRMCQIAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3/c1-10(12-5-3-4-6-13(12)14)16-8-11-7-15-9-17(11)2/h3-7,9-10,16H,8H2,1-2H3.
What are the key properties of 1-(2-chlorophenyl)-N-[(3-methylimidazol-4-yl)methyl]ethanamine?
1-(2-chlorophenyl)-N-[(3-methylimidazol-4-yl)methyl]ethanamine has a molecular weight of 249.75 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-N-[(3-methylimidazol-4-yl)methyl]ethanamine is sourced from PubChem (CID 62997890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).