2-(3-bromophenyl)-3-(3-chlorophenyl)-N-ethylpropan-1-amine

C17H19BrClN — CID 79443421

IUPAC2-(3-bromophenyl)-3-(3-chlorophenyl)-N-ethylpropan-1-amine
SMILESCCNCC(Cc1cccc(Cl)c1)c1cccc(Br)c1
InChIInChI=1S/C17H19BrClN/c1-2-20-12-15(14-6-4-7-16(18)11-14)9-13-5-3-8-17(19)10-13/h3-8,10-11,15,20H,2,9,12H2,1H3
InChIKeyWUKOUUOJBVMBQI-UHFFFAOYSA-N
MW352.70 g/mol
LogP5.04
Rot. Bonds6

About 2-(3-bromophenyl)-3-(3-chlorophenyl)-N-ethylpropan-1-amine

2-(3-bromophenyl)-3-(3-chlorophenyl)-N-ethylpropan-1-amine (PubChem CID 79443421) has the molecular formula C17H19BrClN and a molecular weight of 352.70 g/mol. Its IUPAC name is 2-(3-bromophenyl)-3-(3-chlorophenyl)-N-ethylpropan-1-amine.

Molecular Properties

Compound Name2-(3-bromophenyl)-3-(3-chlorophenyl)-N-ethylpropan-1-amine
PubChem CID79443421
Molecular FormulaC17H19BrClN
Molecular Weight352.70 g/mol
Exact Mass351.04
IUPAC Name2-(3-bromophenyl)-3-(3-chlorophenyl)-N-ethylpropan-1-amine
SMILESCCNCC(Cc1cccc(Cl)c1)c1cccc(Br)c1
InChIInChI=1S/C17H19BrClN/c1-2-20-12-15(14-6-4-7-16(18)11-14)9-13-5-3-8-17(19)10-13/h3-8,10-11,15,20H,2,9,12H2,1H3
InChIKeyWUKOUUOJBVMBQI-UHFFFAOYSA-N
XLogP5.04
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.70
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3-bromophenyl)-3-(3-chloro-4-fluorophenyl)-N-ethylpropan-1-amine
CID 103041147
3-(3-bromophenyl)-N-ethyl-2-(3-fluorophenyl)propan-1-amine
CID 79440215
2-(3-bromophenyl)-3-(4-chloro-2-fluorophenyl)-N-ethylpropan-1-amine
CID 114858847
3-(3-chlorophenyl)-N-ethyl-2-(4-fluorophenyl)propan-1-amine
CID 79441774
3-(5-bromo-2-fluorophenyl)-2-(3-bromophenyl)-N-ethylpropan-1-amine
CID 79430252
3-(3-bromothiophen-2-yl)-2-(3-chlorophenyl)-N-ethylpropan-1-amine
CID 79443317
3-(3-bromophenyl)-2-[(3-bromophenyl)methyl]-N-ethylpropan-1-amine
CID 63523539
2-(3-chlorophenyl)-N-methyl-3-(3-methylphenyl)propan-1-amine
CID 79442808
3-(3-bromophenyl)-N-methyl-2-(3-methylphenyl)propan-1-amine
CID 79417287
2-(3-bromophenyl)-N-ethyl-4-methylsulfonylbutan-1-amine
CID 79443653
2-[(3-bromophenyl)methyl]-N-ethyl-3-methylbutan-1-amine
CID 62528161
2-(3-bromophenyl)-N-ethyl-5,5-dimethylhexan-1-amine
CID 79442599

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-3-(3-chlorophenyl)-N-ethylpropan-1-amine?
The IUPAC name of 2-(3-bromophenyl)-3-(3-chlorophenyl)-N-ethylpropan-1-amine (CID 79443421) is 2-(3-bromophenyl)-3-(3-chlorophenyl)-N-ethylpropan-1-amine.
What is the SMILES notation for 2-(3-bromophenyl)-3-(3-chlorophenyl)-N-ethylpropan-1-amine?
The canonical SMILES for 2-(3-bromophenyl)-3-(3-chlorophenyl)-N-ethylpropan-1-amine is CCNCC(Cc1cccc(Cl)c1)c1cccc(Br)c1.
What is the InChIKey of 2-(3-bromophenyl)-3-(3-chlorophenyl)-N-ethylpropan-1-amine?
The InChIKey is WUKOUUOJBVMBQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrClN/c1-2-20-12-15(14-6-4-7-16(18)11-14)9-13-5-3-8-17(19)10-13/h3-8,10-11,15,20H,2,9,12H2,1H3.
What are the key properties of 2-(3-bromophenyl)-3-(3-chlorophenyl)-N-ethylpropan-1-amine?
2-(3-bromophenyl)-3-(3-chlorophenyl)-N-ethylpropan-1-amine has a molecular weight of 352.70 g/mol, XLogP of 5.04, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-3-(3-chlorophenyl)-N-ethylpropan-1-amine is sourced from PubChem (CID 79443421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).