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

C13H16ClN3 — CID 56828209

IUPAC1-(3-chlorophenyl)-N-[(1-methylimidazol-2-yl)methyl]ethanamine
SMILESCC(NCc1nccn1C)c1cccc(Cl)c1
InChIInChI=1S/C13H16ClN3/c1-10(11-4-3-5-12(14)8-11)16-9-13-15-6-7-17(13)2/h3-8,10,16H,9H2,1-2H3
InChIKeyCQLHLFFFQAURSP-UHFFFAOYSA-N
MW249.75 g/mol
LogP2.92
Rot. Bonds4

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

1-(3-chlorophenyl)-N-[(1-methylimidazol-2-yl)methyl]ethanamine (PubChem CID 56828209) has the molecular formula C13H16ClN3 and a molecular weight of 249.75 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-N-[(1-methylimidazol-2-yl)methyl]ethanamine.

Molecular Properties

Compound Name1-(3-chlorophenyl)-N-[(1-methylimidazol-2-yl)methyl]ethanamine
PubChem CID56828209
Molecular FormulaC13H16ClN3
Molecular Weight249.75 g/mol
Exact Mass249.10
IUPAC Name1-(3-chlorophenyl)-N-[(1-methylimidazol-2-yl)methyl]ethanamine
SMILESCC(NCc1nccn1C)c1cccc(Cl)c1
InChIInChI=1S/C13H16ClN3/c1-10(11-4-3-5-12(14)8-11)16-9-13-15-6-7-17(13)2/h3-8,10,16H,9H2,1-2H3
InChIKeyCQLHLFFFQAURSP-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)-N-[(1-methylimidazol-2-yl)methyl]-1-(3-methylphenyl)ethanamine
CID 81363525
N-[(1-methylimidazol-2-yl)methyl]-1-(3-propan-2-yloxyphenyl)ethanamine
CID 62357438
(1S)-1-(3-chlorophenyl)-N-[(1-methylpyrrol-2-yl)methyl]ethanamine
CID 81372404
1-(3-chlorophenyl)-N-[(1-methylpyrrol-2-yl)methyl]ethanamine
CID 46398344
(1R)-1-(3-chlorophenyl)-N-[2-(2-methylimidazol-1-yl)ethyl]ethanamine
CID 81372752
(1S)-1-(3-chlorophenyl)-N-[2-(2-methylimidazol-1-yl)ethyl]ethanamine
CID 81371719
(1S)-1-(4-fluorophenyl)-N-[(1-methylimidazol-2-yl)methyl]ethanamine
CID 81347675
(1S)-1-(3-chlorophenyl)-N-[(2,6-dichlorophenyl)methyl]ethanamine
CID 30052784
(1S)-1-(3-chlorophenyl)-N-(pyrazin-2-ylmethyl)ethanamine
CID 81366845
1-(3-chlorophenyl)-1-N-methyl-1-N-[(1-methylimidazol-2-yl)methyl]propane-1,2-diamine
CID 63013718
1-(3-chlorophenyl)-N-[(4-chlorophenyl)methyl]ethanamine
CID 43080024
N-[(3-chlorophenyl)-(1-methylimidazol-2-yl)methyl]ethanamine
CID 61315383

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-N-[(1-methylimidazol-2-yl)methyl]ethanamine?
The IUPAC name of 1-(3-chlorophenyl)-N-[(1-methylimidazol-2-yl)methyl]ethanamine (CID 56828209) is 1-(3-chlorophenyl)-N-[(1-methylimidazol-2-yl)methyl]ethanamine.
What is the SMILES notation for 1-(3-chlorophenyl)-N-[(1-methylimidazol-2-yl)methyl]ethanamine?
The canonical SMILES for 1-(3-chlorophenyl)-N-[(1-methylimidazol-2-yl)methyl]ethanamine is CC(NCc1nccn1C)c1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-N-[(1-methylimidazol-2-yl)methyl]ethanamine?
The InChIKey is CQLHLFFFQAURSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3/c1-10(11-4-3-5-12(14)8-11)16-9-13-15-6-7-17(13)2/h3-8,10,16H,9H2,1-2H3.
What are the key properties of 1-(3-chlorophenyl)-N-[(1-methylimidazol-2-yl)methyl]ethanamine?
1-(3-chlorophenyl)-N-[(1-methylimidazol-2-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-(3-chlorophenyl)-N-[(1-methylimidazol-2-yl)methyl]ethanamine is sourced from PubChem (CID 56828209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).