1-(2-chlorophenyl)-N-[(3-ethylimidazol-4-yl)methyl]methanamine

C13H16ClN3 — CID 66118854

IUPAC1-(2-chlorophenyl)-N-[(3-ethylimidazol-4-yl)methyl]methanamine
SMILESCCn1cncc1CNCc1ccccc1Cl
InChIInChI=1S/C13H16ClN3/c1-2-17-10-16-9-12(17)8-15-7-11-5-3-4-6-13(11)14/h3-6,9-10,15H,2,7-8H2,1H3
InChIKeyFZGGNBUYCBXJAM-UHFFFAOYSA-N
MW249.75 g/mol
LogP2.85
Rot. Bonds5

About 1-(2-chlorophenyl)-N-[(3-ethylimidazol-4-yl)methyl]methanamine

1-(2-chlorophenyl)-N-[(3-ethylimidazol-4-yl)methyl]methanamine (PubChem CID 66118854) has the molecular formula C13H16ClN3 and a molecular weight of 249.75 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-N-[(3-ethylimidazol-4-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(2-chlorophenyl)-N-[(3-ethylimidazol-4-yl)methyl]methanamine
PubChem CID66118854
Molecular FormulaC13H16ClN3
Molecular Weight249.75 g/mol
Exact Mass249.10
IUPAC Name1-(2-chlorophenyl)-N-[(3-ethylimidazol-4-yl)methyl]methanamine
SMILESCCn1cncc1CNCc1ccccc1Cl
InChIInChI=1S/C13H16ClN3/c1-2-17-10-16-9-12(17)8-15-7-11-5-3-4-6-13(11)14/h3-6,9-10,15H,2,7-8H2,1H3
InChIKeyFZGGNBUYCBXJAM-UHFFFAOYSA-N
XLogP2.85
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.75
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-chlorophenyl)-N-[(3-ethylimidazol-4-yl)methyl]propan-2-amine
CID 66135228
N-[(3-ethylimidazol-4-yl)methyl]-1-pyridin-2-ylmethanamine
CID 66116744
N-[(3-ethylimidazol-4-yl)methyl]-1-(4-methylphenyl)methanamine
CID 66116948
N-[(3-ethylimidazol-4-yl)methyl]-1-(4-propan-2-ylphenyl)methanamine
CID 66134874
4-[[5-[2-[(2-chlorophenyl)methylamino]ethyl]imidazol-1-yl]methyl]benzonitrile
CID 141033992
N-[(3-ethylimidazol-4-yl)methyl]pentan-1-amine
CID 66118440
N-[(3-ethylimidazol-4-yl)methyl]-2-methyl-2-phenylpropan-1-amine
CID 66134447
N-[[3-[(2-fluorophenyl)methyl]imidazol-4-yl]methyl]propan-1-amine
CID 66146501
N-[(3-ethylimidazol-4-yl)methyl]-4,4,4-trifluorobutan-1-amine
CID 115516463
1-[2-(difluoromethoxy)phenyl]-N-[(3-propylimidazol-4-yl)methyl]methanamine
CID 66134173
N-[(2-chlorophenyl)methyl]-1-(1-methylpyrazol-3-yl)methanamine
CID 78920973
2,6-dichloro-N-[(3-ethylimidazol-4-yl)methyl]-4-fluoroaniline
CID 83076377

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-N-[(3-ethylimidazol-4-yl)methyl]methanamine?
The IUPAC name of 1-(2-chlorophenyl)-N-[(3-ethylimidazol-4-yl)methyl]methanamine (CID 66118854) is 1-(2-chlorophenyl)-N-[(3-ethylimidazol-4-yl)methyl]methanamine.
What is the SMILES notation for 1-(2-chlorophenyl)-N-[(3-ethylimidazol-4-yl)methyl]methanamine?
The canonical SMILES for 1-(2-chlorophenyl)-N-[(3-ethylimidazol-4-yl)methyl]methanamine is CCn1cncc1CNCc1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)-N-[(3-ethylimidazol-4-yl)methyl]methanamine?
The InChIKey is FZGGNBUYCBXJAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3/c1-2-17-10-16-9-12(17)8-15-7-11-5-3-4-6-13(11)14/h3-6,9-10,15H,2,7-8H2,1H3.
What are the key properties of 1-(2-chlorophenyl)-N-[(3-ethylimidazol-4-yl)methyl]methanamine?
1-(2-chlorophenyl)-N-[(3-ethylimidazol-4-yl)methyl]methanamine has a molecular weight of 249.75 g/mol, XLogP of 2.85, 5 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-ethylimidazol-4-yl)methyl]methanamine is sourced from PubChem (CID 66118854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).