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

C13H16ClN3 — CID 61315383

IUPACN-[(3-chlorophenyl)-(1-methylimidazol-2-yl)methyl]ethanamine
SMILESCCNC(c1cccc(Cl)c1)c1nccn1C
InChIInChI=1S/C13H16ClN3/c1-3-15-12(13-16-7-8-17(13)2)10-5-4-6-11(14)9-10/h4-9,12,15H,3H2,1-2H3
InChIKeyVQKQNLFPPQQLOX-UHFFFAOYSA-N
MW249.75 g/mol
LogP2.77
Rot. Bonds4

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

N-[(3-chlorophenyl)-(1-methylimidazol-2-yl)methyl]ethanamine (PubChem CID 61315383) has the molecular formula C13H16ClN3 and a molecular weight of 249.75 g/mol. Its IUPAC name is N-[(3-chlorophenyl)-(1-methylimidazol-2-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(3-chlorophenyl)-(1-methylimidazol-2-yl)methyl]ethanamine
PubChem CID61315383
Molecular FormulaC13H16ClN3
Molecular Weight249.75 g/mol
Exact Mass249.10
IUPAC NameN-[(3-chlorophenyl)-(1-methylimidazol-2-yl)methyl]ethanamine
SMILESCCNC(c1cccc(Cl)c1)c1nccn1C
InChIInChI=1S/C13H16ClN3/c1-3-15-12(13-16-7-8-17(13)2)10-5-4-6-11(14)9-10/h4-9,12,15H,3H2,1-2H3
InChIKeyVQKQNLFPPQQLOX-UHFFFAOYSA-N
XLogP2.77
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 ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-methylimidazol-2-yl)-naphthalen-2-ylmethyl]ethanamine
CID 61315945
N-[(5-chloro-2-methylphenyl)-(1-methylimidazol-2-yl)methyl]ethanamine
CID 82890952
N-[(3,5-dibromophenyl)-(1-methylimidazol-2-yl)methyl]ethanamine
CID 114022999
N-[(2-chloro-3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]ethanamine
CID 81462073
N-[(3-chlorophenyl)-(3-chloro-2-pyridinyl)methyl]ethanamine
CID 103444575
N-[(2-chloro-5-fluorophenyl)-(1-methylimidazol-2-yl)methyl]ethanamine
CID 105395359
N-[(3-fluorophenyl)-(1-propylimidazol-2-yl)methyl]ethanamine
CID 61317740
N-[(1-methylimidazol-2-yl)-(4-methylsulfonylphenyl)methyl]ethanamine
CID 61315754
1-(3-chlorophenyl)-N-[(1-methylimidazol-2-yl)methyl]ethanamine
CID 56828209
1-[(3-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-3-pyrazin-2-ylurea
CID 110492612
(1S)-1-(3-fluorophenyl)-N-[(3-fluorophenyl)methyl]-1-(1-methylimidazol-2-yl)methanamine
CID 92854425
3-chloro-N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]benzenesulfonamide
CID 17417989

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)-(1-methylimidazol-2-yl)methyl]ethanamine?
The IUPAC name of N-[(3-chlorophenyl)-(1-methylimidazol-2-yl)methyl]ethanamine (CID 61315383) is N-[(3-chlorophenyl)-(1-methylimidazol-2-yl)methyl]ethanamine.
What is the SMILES notation for N-[(3-chlorophenyl)-(1-methylimidazol-2-yl)methyl]ethanamine?
The canonical SMILES for N-[(3-chlorophenyl)-(1-methylimidazol-2-yl)methyl]ethanamine is CCNC(c1cccc(Cl)c1)c1nccn1C.
What is the InChIKey of N-[(3-chlorophenyl)-(1-methylimidazol-2-yl)methyl]ethanamine?
The InChIKey is VQKQNLFPPQQLOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3/c1-3-15-12(13-16-7-8-17(13)2)10-5-4-6-11(14)9-10/h4-9,12,15H,3H2,1-2H3.
What are the key properties of N-[(3-chlorophenyl)-(1-methylimidazol-2-yl)methyl]ethanamine?
N-[(3-chlorophenyl)-(1-methylimidazol-2-yl)methyl]ethanamine has a molecular weight of 249.75 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)-(1-methylimidazol-2-yl)methyl]ethanamine is sourced from PubChem (CID 61315383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).