1-(4-chlorophenyl)-N-methyl-3-(1-methylimidazol-2-yl)propan-2-amine

C14H18ClN3 — CID 79752787

IUPAC1-(4-chlorophenyl)-N-methyl-3-(1-methylimidazol-2-yl)propan-2-amine
SMILESCNC(Cc1ccc(Cl)cc1)Cc1nccn1C
InChIInChI=1S/C14H18ClN3/c1-16-13(10-14-17-7-8-18(14)2)9-11-3-5-12(15)6-4-11/h3-8,13,16H,9-10H2,1-2H3
InChIKeyHQQIEZGZVHJSPM-UHFFFAOYSA-N
MW263.77 g/mol
LogP2.45
Rot. Bonds5

About 1-(4-chlorophenyl)-N-methyl-3-(1-methylimidazol-2-yl)propan-2-amine

1-(4-chlorophenyl)-N-methyl-3-(1-methylimidazol-2-yl)propan-2-amine (PubChem CID 79752787) has the molecular formula C14H18ClN3 and a molecular weight of 263.77 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-methyl-3-(1-methylimidazol-2-yl)propan-2-amine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-methyl-3-(1-methylimidazol-2-yl)propan-2-amine
PubChem CID79752787
Molecular FormulaC14H18ClN3
Molecular Weight263.77 g/mol
Exact Mass263.12
IUPAC Name1-(4-chlorophenyl)-N-methyl-3-(1-methylimidazol-2-yl)propan-2-amine
SMILESCNC(Cc1ccc(Cl)cc1)Cc1nccn1C
InChIInChI=1S/C14H18ClN3/c1-16-13(10-14-17-7-8-18(14)2)9-11-3-5-12(15)6-4-11/h3-8,13,16H,9-10H2,1-2H3
InChIKeyHQQIEZGZVHJSPM-UHFFFAOYSA-N
XLogP2.45
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.77
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-(1-methylimidazol-2-yl)-3-phenylpropan-2-amine
CID 79752421
2-[(4-chlorophenyl)methyl]-1-methylimidazole
CID 143713939
N-methyl-1-(1-methylimidazol-2-yl)-4-(4-methylphenyl)butan-2-amine
CID 105167031
1-(4-chlorophenyl)-N-methyl-3-pyridin-4-ylpropan-2-amine
CID 62553099
1-(4-bromophenyl)-N-methyl-4-(1-methylimidazol-2-yl)butan-2-amine
CID 114529956
[1-(1-methylimidazol-2-yl)-3-phenylpropan-2-yl]hydrazine
CID 105195404
1-(3,5-dichlorophenyl)-N-methyl-2-(1-methylimidazol-2-yl)ethanamine
CID 105011597
1-(2-chlorophenyl)sulfanyl-N-methyl-3-(1-methylimidazol-2-yl)propan-2-amine
CID 79761997
1-(4-chlorophenyl)-N-ethyl-3-(1-propylimidazol-2-yl)propan-2-amine
CID 79752002
4-methoxy-N-methyl-1-(1-methylimidazol-2-yl)butan-2-amine
CID 79751381
1-(4-chlorophenyl)-N-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propan-2-amine
CID 105085290
N-methyl-1-(1-methylimidazol-2-yl)-3-(2-methylphenyl)sulfanylpropan-2-amine
CID 79761270

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-methyl-3-(1-methylimidazol-2-yl)propan-2-amine?
The IUPAC name of 1-(4-chlorophenyl)-N-methyl-3-(1-methylimidazol-2-yl)propan-2-amine (CID 79752787) is 1-(4-chlorophenyl)-N-methyl-3-(1-methylimidazol-2-yl)propan-2-amine.
What is the SMILES notation for 1-(4-chlorophenyl)-N-methyl-3-(1-methylimidazol-2-yl)propan-2-amine?
The canonical SMILES for 1-(4-chlorophenyl)-N-methyl-3-(1-methylimidazol-2-yl)propan-2-amine is CNC(Cc1ccc(Cl)cc1)Cc1nccn1C.
What is the InChIKey of 1-(4-chlorophenyl)-N-methyl-3-(1-methylimidazol-2-yl)propan-2-amine?
The InChIKey is HQQIEZGZVHJSPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3/c1-16-13(10-14-17-7-8-18(14)2)9-11-3-5-12(15)6-4-11/h3-8,13,16H,9-10H2,1-2H3.
What are the key properties of 1-(4-chlorophenyl)-N-methyl-3-(1-methylimidazol-2-yl)propan-2-amine?
1-(4-chlorophenyl)-N-methyl-3-(1-methylimidazol-2-yl)propan-2-amine has a molecular weight of 263.77 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-methyl-3-(1-methylimidazol-2-yl)propan-2-amine is sourced from PubChem (CID 79752787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).