2-(3-chlorophenyl)-1-(1-methylimidazol-2-yl)propan-2-amine

C13H16ClN3 — CID 79745086

IUPAC2-(3-chlorophenyl)-1-(1-methylimidazol-2-yl)propan-2-amine
SMILESCn1ccnc1CC(C)(N)c1cccc(Cl)c1
InChIInChI=1S/C13H16ClN3/c1-13(15,9-12-16-6-7-17(12)2)10-4-3-5-11(14)8-10/h3-8H,9,15H2,1-2H3
InChIKeySIWBPBXEEJPXJQ-UHFFFAOYSA-N
MW249.75 g/mol
LogP2.49
Rot. Bonds3

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

2-(3-chlorophenyl)-1-(1-methylimidazol-2-yl)propan-2-amine (PubChem CID 79745086) has the molecular formula C13H16ClN3 and a molecular weight of 249.75 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-1-(1-methylimidazol-2-yl)propan-2-amine.

Molecular Properties

Compound Name2-(3-chlorophenyl)-1-(1-methylimidazol-2-yl)propan-2-amine
PubChem CID79745086
Molecular FormulaC13H16ClN3
Molecular Weight249.75 g/mol
Exact Mass249.10
IUPAC Name2-(3-chlorophenyl)-1-(1-methylimidazol-2-yl)propan-2-amine
SMILESCn1ccnc1CC(C)(N)c1cccc(Cl)c1
InChIInChI=1S/C13H16ClN3/c1-13(15,9-12-16-6-7-17(12)2)10-4-3-5-11(14)8-10/h3-8H,9,15H2,1-2H3
InChIKeySIWBPBXEEJPXJQ-UHFFFAOYSA-N
XLogP2.49
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.75
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chlorophenyl)-4-(1-methylimidazol-2-yl)butan-2-ol
CID 114528995
2-[4-chloro-3-(chloromethyl)-3-(3-chlorophenyl)butyl]-1-methylimidazole
CID 114532828
2-(3-chlorophenyl)-1-pyridin-3-ylpropan-2-amine
CID 104735876
2-(3-bromophenyl)-1-(1-ethylimidazol-2-yl)propan-2-amine
CID 79744166
2-methyl-1-(1-methylimidazol-2-yl)butan-2-amine
CID 79743993
2-(3-chlorophenyl)-1-(4-propan-2-ylphenyl)propan-2-amine
CID 63408099
3-(1-methylimidazol-2-yl)-2-[(1-methylimidazol-2-yl)methyl]propane-1,2-diamine
CID 175409591
1-(3-chlorophenyl)-N-[(1-methylimidazol-2-yl)methyl]ethanamine
CID 56828209
[1-(4-chloro-2-fluorophenyl)-2-(1-methylimidazol-2-yl)ethyl]hydrazine
CID 105217996
3-amino-3-(3-chlorophenyl)butanoic acid
CID 64664943
1-(3-chlorophenyl)-1-N-methyl-1-N-[(1-methylimidazol-2-yl)methyl]propane-1,2-diamine
CID 63013718
2-(3-chlorophenyl)-1-methylimidazole
CID 57277272

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-1-(1-methylimidazol-2-yl)propan-2-amine?
The IUPAC name of 2-(3-chlorophenyl)-1-(1-methylimidazol-2-yl)propan-2-amine (CID 79745086) is 2-(3-chlorophenyl)-1-(1-methylimidazol-2-yl)propan-2-amine.
What is the SMILES notation for 2-(3-chlorophenyl)-1-(1-methylimidazol-2-yl)propan-2-amine?
The canonical SMILES for 2-(3-chlorophenyl)-1-(1-methylimidazol-2-yl)propan-2-amine is Cn1ccnc1CC(C)(N)c1cccc(Cl)c1.
What is the InChIKey of 2-(3-chlorophenyl)-1-(1-methylimidazol-2-yl)propan-2-amine?
The InChIKey is SIWBPBXEEJPXJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3/c1-13(15,9-12-16-6-7-17(12)2)10-4-3-5-11(14)8-10/h3-8H,9,15H2,1-2H3.
What are the key properties of 2-(3-chlorophenyl)-1-(1-methylimidazol-2-yl)propan-2-amine?
2-(3-chlorophenyl)-1-(1-methylimidazol-2-yl)propan-2-amine has a molecular weight of 249.75 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-1-(1-methylimidazol-2-yl)propan-2-amine is sourced from PubChem (CID 79745086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).