1-(4-bromo-2-chlorophenyl)-2-(1-propylimidazol-2-yl)ethanamine

C14H17BrClN3 — CID 105012373

IUPAC1-(4-bromo-2-chlorophenyl)-2-(1-propylimidazol-2-yl)ethanamine
SMILESCCCn1ccnc1CC(N)c1ccc(Br)cc1Cl
InChIInChI=1S/C14H17BrClN3/c1-2-6-19-7-5-18-14(19)9-13(17)11-4-3-10(15)8-12(11)16/h3-5,7-8,13H,2,6,9,17H2,1H3
InChIKeyJWTZRHANXFFIND-UHFFFAOYSA-N
MW342.67 g/mol
LogP3.95
Rot. Bonds5

About 1-(4-bromo-2-chlorophenyl)-2-(1-propylimidazol-2-yl)ethanamine

1-(4-bromo-2-chlorophenyl)-2-(1-propylimidazol-2-yl)ethanamine (PubChem CID 105012373) has the molecular formula C14H17BrClN3 and a molecular weight of 342.67 g/mol. Its IUPAC name is 1-(4-bromo-2-chlorophenyl)-2-(1-propylimidazol-2-yl)ethanamine.

Molecular Properties

Compound Name1-(4-bromo-2-chlorophenyl)-2-(1-propylimidazol-2-yl)ethanamine
PubChem CID105012373
Molecular FormulaC14H17BrClN3
Molecular Weight342.67 g/mol
Exact Mass341.03
IUPAC Name1-(4-bromo-2-chlorophenyl)-2-(1-propylimidazol-2-yl)ethanamine
SMILESCCCn1ccnc1CC(N)c1ccc(Br)cc1Cl
InChIInChI=1S/C14H17BrClN3/c1-2-6-19-7-5-18-14(19)9-13(17)11-4-3-10(15)8-12(11)16/h3-5,7-8,13H,2,6,9,17H2,1H3
InChIKeyJWTZRHANXFFIND-UHFFFAOYSA-N
XLogP3.95
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.67
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(4-bromo-2-chlorophenyl)-2-(1-propylimidazol-2-yl)ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-chloro-4-pyridinyl)-2-(1-propylimidazol-2-yl)ethanamine
CID 105167678
1-(5-chloro-2-methylphenyl)-2-(1-propylimidazol-2-yl)ethanamine
CID 105012407
[1-(4-bromo-2-methylphenyl)-2-(1-propylimidazol-2-yl)ethyl]hydrazine
CID 105323298
1-(4-bromo-3,5-dimethylphenyl)-2-(1-propylimidazol-2-yl)ethanamine
CID 114330209
1-(2-amino-5-bromophenyl)-2-(1-propylimidazol-2-yl)ethanol
CID 82703490
1-(3-bromo-2-methylphenyl)-2-(1-propylimidazol-2-yl)ethanamine
CID 105012477
1-(2-chloro-4-methylphenyl)-2-(1-propylimidazol-2-yl)ethanol
CID 106859395
1-(2-bromo-5-methoxyphenyl)-2-(1-propylimidazol-2-yl)ethanamine
CID 105167671
2-(4-bromo-2-chlorophenyl)-1-(1-propylimidazol-2-yl)propan-2-amine
CID 82779747
1-(2-chloro-4-methylphenyl)-N-methyl-2-(1-propylimidazol-2-yl)ethanamine
CID 106858171
1-(4-bromo-2-methylphenyl)-N-ethyl-2-(1-propylimidazol-2-yl)ethanamine
CID 105012207
N-[1-(4-bromo-2-chlorophenyl)-2-(1-methylimidazol-2-yl)ethyl]propan-1-amine
CID 105011211

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-chlorophenyl)-2-(1-propylimidazol-2-yl)ethanamine?
The IUPAC name of 1-(4-bromo-2-chlorophenyl)-2-(1-propylimidazol-2-yl)ethanamine (CID 105012373) is 1-(4-bromo-2-chlorophenyl)-2-(1-propylimidazol-2-yl)ethanamine.
What is the SMILES notation for 1-(4-bromo-2-chlorophenyl)-2-(1-propylimidazol-2-yl)ethanamine?
The canonical SMILES for 1-(4-bromo-2-chlorophenyl)-2-(1-propylimidazol-2-yl)ethanamine is CCCn1ccnc1CC(N)c1ccc(Br)cc1Cl.
What is the InChIKey of 1-(4-bromo-2-chlorophenyl)-2-(1-propylimidazol-2-yl)ethanamine?
The InChIKey is JWTZRHANXFFIND-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrClN3/c1-2-6-19-7-5-18-14(19)9-13(17)11-4-3-10(15)8-12(11)16/h3-5,7-8,13H,2,6,9,17H2,1H3.
What are the key properties of 1-(4-bromo-2-chlorophenyl)-2-(1-propylimidazol-2-yl)ethanamine?
1-(4-bromo-2-chlorophenyl)-2-(1-propylimidazol-2-yl)ethanamine has a molecular weight of 342.67 g/mol, XLogP of 3.95, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-chlorophenyl)-2-(1-propylimidazol-2-yl)ethanamine is sourced from PubChem (CID 105012373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).