2-(2-bromophenyl)-3-(4-chloro-3-fluorophenyl)-N-ethylpropan-1-amine

C17H18BrClFN — CID 107897542

IUPAC2-(2-bromophenyl)-3-(4-chloro-3-fluorophenyl)-N-ethylpropan-1-amine
SMILESCCNCC(Cc1ccc(Cl)c(F)c1)c1ccccc1Br
InChIInChI=1S/C17H18BrClFN/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
InChIKeyHVGDIQLUTYOOAQ-UHFFFAOYSA-N
MW370.69 g/mol
LogP5.18
Rot. Bonds6

About 2-(2-bromophenyl)-3-(4-chloro-3-fluorophenyl)-N-ethylpropan-1-amine

2-(2-bromophenyl)-3-(4-chloro-3-fluorophenyl)-N-ethylpropan-1-amine (PubChem CID 107897542) has the molecular formula C17H18BrClFN and a molecular weight of 370.69 g/mol. Its IUPAC name is 2-(2-bromophenyl)-3-(4-chloro-3-fluorophenyl)-N-ethylpropan-1-amine.

Molecular Properties

Compound Name2-(2-bromophenyl)-3-(4-chloro-3-fluorophenyl)-N-ethylpropan-1-amine
PubChem CID107897542
Molecular FormulaC17H18BrClFN
Molecular Weight370.69 g/mol
Exact Mass369.03
IUPAC Name2-(2-bromophenyl)-3-(4-chloro-3-fluorophenyl)-N-ethylpropan-1-amine
SMILESCCNCC(Cc1ccc(Cl)c(F)c1)c1ccccc1Br
InChIInChI=1S/C17H18BrClFN/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
InChIKeyHVGDIQLUTYOOAQ-UHFFFAOYSA-N
XLogP5.18
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.69
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2-bromophenyl)-3-(3,4-dichlorophenyl)-N-ethylpropan-1-amine
CID 79436750
2-(2-bromophenyl)-3-(4-chloro-3-fluorophenyl)propan-1-ol
CID 107895001
3-(5-bromo-2-fluorophenyl)-2-(2-bromophenyl)-N-ethylpropan-1-amine
CID 79437285
3-(2-bromo-4-fluorophenyl)-2-(2-bromophenyl)-N-ethylpropan-1-amine
CID 79436328
2-(2-bromophenyl)-3-(2,3-dichlorophenyl)-N-ethylpropan-1-amine
CID 107309793
2-(2-bromophenyl)-3-(3-fluorophenyl)-N-propylpropan-1-amine
CID 79436436
2-[(4-chloro-3-fluorophenyl)methyl]-N-ethylpentan-1-amine
CID 107897120
3-(5-bromo-2-fluorophenyl)-2-(2-chlorophenyl)-N-ethylpropan-1-amine
CID 79435741
N-ethyl-2-(2-fluorophenyl)-3-phenylpropan-1-amine
CID 79438873
2-(3-bromophenyl)-3-(3-chloro-4-fluorophenyl)-N-ethylpropan-1-amine
CID 103041147
2-(2-chlorophenyl)-3-(3,5-dimethylphenyl)-N-ethylpropan-1-amine
CID 79436038
2-(2-bromophenyl)-3-(4-chloro-2-fluorophenyl)-N-methylpropan-1-amine
CID 114858886

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)-3-(4-chloro-3-fluorophenyl)-N-ethylpropan-1-amine?
The IUPAC name of 2-(2-bromophenyl)-3-(4-chloro-3-fluorophenyl)-N-ethylpropan-1-amine (CID 107897542) is 2-(2-bromophenyl)-3-(4-chloro-3-fluorophenyl)-N-ethylpropan-1-amine.
What is the SMILES notation for 2-(2-bromophenyl)-3-(4-chloro-3-fluorophenyl)-N-ethylpropan-1-amine?
The canonical SMILES for 2-(2-bromophenyl)-3-(4-chloro-3-fluorophenyl)-N-ethylpropan-1-amine is CCNCC(Cc1ccc(Cl)c(F)c1)c1ccccc1Br.
What is the InChIKey of 2-(2-bromophenyl)-3-(4-chloro-3-fluorophenyl)-N-ethylpropan-1-amine?
The InChIKey is HVGDIQLUTYOOAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrClFN/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-(4-chloro-3-fluorophenyl)-N-ethylpropan-1-amine?
2-(2-bromophenyl)-3-(4-chloro-3-fluorophenyl)-N-ethylpropan-1-amine has a molecular weight of 370.69 g/mol, XLogP of 5.18, 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-(4-chloro-3-fluorophenyl)-N-ethylpropan-1-amine is sourced from PubChem (CID 107897542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).