1-[3-chloro-4-(2-ethylimidazol-1-yl)phenyl]-N-methylmethanamine

C13H16ClN3 — CID 81150062

IUPAC1-[3-chloro-4-(2-ethylimidazol-1-yl)phenyl]-N-methylmethanamine
SMILESCCc1nccn1-c1ccc(CNC)cc1Cl
InChIInChI=1S/C13H16ClN3/c1-3-13-16-6-7-17(13)12-5-4-10(9-15-2)8-11(12)14/h4-8,15H,3,9H2,1-2H3
InChIKeyYYZXBSDZAGXJNO-UHFFFAOYSA-N
MW249.74 g/mol
LogP2.81
Rot. Bonds4

About 1-[3-chloro-4-(2-ethylimidazol-1-yl)phenyl]-N-methylmethanamine

1-[3-chloro-4-(2-ethylimidazol-1-yl)phenyl]-N-methylmethanamine (PubChem CID 81150062) has the molecular formula C13H16ClN3 and a molecular weight of 249.74 g/mol. Its IUPAC name is 1-[3-chloro-4-(2-ethylimidazol-1-yl)phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[3-chloro-4-(2-ethylimidazol-1-yl)phenyl]-N-methylmethanamine
PubChem CID81150062
Molecular FormulaC13H16ClN3
Molecular Weight249.74 g/mol
Exact Mass249.10
IUPAC Name1-[3-chloro-4-(2-ethylimidazol-1-yl)phenyl]-N-methylmethanamine
SMILESCCc1nccn1-c1ccc(CNC)cc1Cl
InChIInChI=1S/C13H16ClN3/c1-3-13-16-6-7-17(13)12-5-4-10(9-15-2)8-11(12)14/h4-8,15H,3,9H2,1-2H3
InChIKeyYYZXBSDZAGXJNO-UHFFFAOYSA-N
XLogP2.81
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.74
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(bromomethyl)-2-chlorophenyl]-2-ethylimidazole
CID 107085938
N-[[3-chloro-4-(2-propylimidazol-1-yl)phenyl]methyl]-2-methylpropan-2-amine
CID 81145297
N-[[4-(2-ethylimidazol-1-yl)-3-methylphenyl]methyl]propan-1-amine
CID 62124555
N-[[3-chloro-4-(2-propylimidazol-1-yl)phenyl]methyl]-2-methoxyethanamine
CID 81145300
1-[4-(chloromethyl)-2-fluorophenyl]-2-ethylimidazole
CID 61405637
N-[[4-(2-ethylimidazol-1-yl)-3-fluorophenyl]methyl]-2-methylpropan-1-amine
CID 63071538
1-[3-chloro-4-(4-methylpiperazin-1-yl)phenyl]-N-methylmethanamine
CID 81150963
1-[1-[(3,4-dichlorophenyl)methyl]imidazol-2-yl]-N-methylmethanamine
CID 42656322
3-chloro-4-(2-ethylimidazol-1-yl)benzenecarboximidamide
CID 63089231
1-[1-(4-chlorophenyl)imidazol-2-yl]-N-methylmethanamine
CID 83890401
1-[2-(bromomethyl)-4-chlorophenyl]-2-ethylimidazole
CID 107085942
(E)-3-[3-chloro-4-(2-ethylimidazol-1-yl)phenyl]prop-2-enoic acid
CID 81154605

Frequently Asked Questions

What is the IUPAC name of 1-[3-chloro-4-(2-ethylimidazol-1-yl)phenyl]-N-methylmethanamine?
The IUPAC name of 1-[3-chloro-4-(2-ethylimidazol-1-yl)phenyl]-N-methylmethanamine (CID 81150062) is 1-[3-chloro-4-(2-ethylimidazol-1-yl)phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[3-chloro-4-(2-ethylimidazol-1-yl)phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[3-chloro-4-(2-ethylimidazol-1-yl)phenyl]-N-methylmethanamine is CCc1nccn1-c1ccc(CNC)cc1Cl.
What is the InChIKey of 1-[3-chloro-4-(2-ethylimidazol-1-yl)phenyl]-N-methylmethanamine?
The InChIKey is YYZXBSDZAGXJNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3/c1-3-13-16-6-7-17(13)12-5-4-10(9-15-2)8-11(12)14/h4-8,15H,3,9H2,1-2H3.
What are the key properties of 1-[3-chloro-4-(2-ethylimidazol-1-yl)phenyl]-N-methylmethanamine?
1-[3-chloro-4-(2-ethylimidazol-1-yl)phenyl]-N-methylmethanamine has a molecular weight of 249.74 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-chloro-4-(2-ethylimidazol-1-yl)phenyl]-N-methylmethanamine is sourced from PubChem (CID 81150062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).