2-(2-bromophenyl)-3-(3,4-dichlorophenyl)-N-ethylpropan-1-amine

C17H18BrCl2N — CID 79436750

IUPAC2-(2-bromophenyl)-3-(3,4-dichlorophenyl)-N-ethylpropan-1-amine
SMILESCCNCC(Cc1ccc(Cl)c(Cl)c1)c1ccccc1Br
InChIInChI=1S/C17H18BrCl2N/c1-2-21-11-13(14-5-3-4-6-15(14)18)9-12-7-8-16(19)17(20)10-12/h3-8,10,13,21H,2,9,11H2,1H3
InChIKeyFXKMXMLMXFNYQS-UHFFFAOYSA-N
MW387.15 g/mol
LogP5.69
Rot. Bonds6

About 2-(2-bromophenyl)-3-(3,4-dichlorophenyl)-N-ethylpropan-1-amine

2-(2-bromophenyl)-3-(3,4-dichlorophenyl)-N-ethylpropan-1-amine (PubChem CID 79436750) has the molecular formula C17H18BrCl2N and a molecular weight of 387.15 g/mol. Its IUPAC name is 2-(2-bromophenyl)-3-(3,4-dichlorophenyl)-N-ethylpropan-1-amine.

Molecular Properties

Compound Name2-(2-bromophenyl)-3-(3,4-dichlorophenyl)-N-ethylpropan-1-amine
PubChem CID79436750
Molecular FormulaC17H18BrCl2N
Molecular Weight387.15 g/mol
Exact Mass385.00
IUPAC Name2-(2-bromophenyl)-3-(3,4-dichlorophenyl)-N-ethylpropan-1-amine
SMILESCCNCC(Cc1ccc(Cl)c(Cl)c1)c1ccccc1Br
InChIInChI=1S/C17H18BrCl2N/c1-2-21-11-13(14-5-3-4-6-15(14)18)9-12-7-8-16(19)17(20)10-12/h3-8,10,13,21H,2,9,11H2,1H3
InChIKeyFXKMXMLMXFNYQS-UHFFFAOYSA-N
XLogP5.69
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.15
LogP ≤ 55.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-(2-bromophenyl)-3-(3,4-dichlorophenyl)-N-ethylpropan-1-amine 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

2-(2-bromophenyl)-3-(4-chloro-3-fluorophenyl)-N-ethylpropan-1-amine
CID 107897542
2-(2-bromophenyl)-3-(2,3-dichlorophenyl)-N-ethylpropan-1-amine
CID 107309793
3-(3,4-dichlorophenyl)-N-ethyl-2-(3-methylphenyl)propan-1-amine
CID 79422312
2-(2-chlorophenyl)-3-(3,5-dimethylphenyl)-N-ethylpropan-1-amine
CID 79436038
3-(2-bromo-4-fluorophenyl)-2-(2-bromophenyl)-N-ethylpropan-1-amine
CID 79436328
3-(5-bromo-2-fluorophenyl)-2-(2-bromophenyl)-N-ethylpropan-1-amine
CID 79437285
3-(3,4-dimethylphenyl)-N-ethyl-2-(2-methylphenyl)propan-1-amine
CID 79423679
2-(2-bromophenyl)-3-(3-fluorophenyl)-N-propylpropan-1-amine
CID 79436436
2-(2-chlorophenyl)-N-ethyl-3-(3-methoxyphenyl)propan-1-amine
CID 79436045
2-(4-bromophenyl)-3-(3,4-dichlorophenyl)-N-methylpropan-1-amine
CID 79441806
2-(2-bromophenyl)-3-(4-chloro-3-fluorophenyl)propan-1-ol
CID 107895001
2-(3-bromophenyl)-3-(3-chloro-4-fluorophenyl)-N-ethylpropan-1-amine
CID 103041147

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)-3-(3,4-dichlorophenyl)-N-ethylpropan-1-amine?
The IUPAC name of 2-(2-bromophenyl)-3-(3,4-dichlorophenyl)-N-ethylpropan-1-amine (CID 79436750) is 2-(2-bromophenyl)-3-(3,4-dichlorophenyl)-N-ethylpropan-1-amine.
What is the SMILES notation for 2-(2-bromophenyl)-3-(3,4-dichlorophenyl)-N-ethylpropan-1-amine?
The canonical SMILES for 2-(2-bromophenyl)-3-(3,4-dichlorophenyl)-N-ethylpropan-1-amine is CCNCC(Cc1ccc(Cl)c(Cl)c1)c1ccccc1Br.
What is the InChIKey of 2-(2-bromophenyl)-3-(3,4-dichlorophenyl)-N-ethylpropan-1-amine?
The InChIKey is FXKMXMLMXFNYQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrCl2N/c1-2-21-11-13(14-5-3-4-6-15(14)18)9-12-7-8-16(19)17(20)10-12/h3-8,10,13,21H,2,9,11H2,1H3.
What are the key properties of 2-(2-bromophenyl)-3-(3,4-dichlorophenyl)-N-ethylpropan-1-amine?
2-(2-bromophenyl)-3-(3,4-dichlorophenyl)-N-ethylpropan-1-amine has a molecular weight of 387.15 g/mol, XLogP of 5.69, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)-3-(3,4-dichlorophenyl)-N-ethylpropan-1-amine is sourced from PubChem (CID 79436750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).