3-(2-bromophenyl)-2-(4-chlorophenyl)-N-ethylpropan-1-amine

C17H19BrClN — CID 79441626

IUPAC3-(2-bromophenyl)-2-(4-chlorophenyl)-N-ethylpropan-1-amine
SMILESCCNCC(Cc1ccccc1Br)c1ccc(Cl)cc1
InChIInChI=1S/C17H19BrClN/c1-2-20-12-15(13-7-9-16(19)10-8-13)11-14-5-3-4-6-17(14)18/h3-10,15,20H,2,11-12H2,1H3
InChIKeyNGJKISOUWREETG-UHFFFAOYSA-N
MW352.70 g/mol
LogP5.04
Rot. Bonds6

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

3-(2-bromophenyl)-2-(4-chlorophenyl)-N-ethylpropan-1-amine (PubChem CID 79441626) has the molecular formula C17H19BrClN and a molecular weight of 352.70 g/mol. Its IUPAC name is 3-(2-bromophenyl)-2-(4-chlorophenyl)-N-ethylpropan-1-amine.

Molecular Properties

Compound Name3-(2-bromophenyl)-2-(4-chlorophenyl)-N-ethylpropan-1-amine
PubChem CID79441626
Molecular FormulaC17H19BrClN
Molecular Weight352.70 g/mol
Exact Mass351.04
IUPAC Name3-(2-bromophenyl)-2-(4-chlorophenyl)-N-ethylpropan-1-amine
SMILESCCNCC(Cc1ccccc1Br)c1ccc(Cl)cc1
InChIInChI=1S/C17H19BrClN/c1-2-20-12-15(13-7-9-16(19)10-8-13)11-14-5-3-4-6-17(14)18/h3-10,15,20H,2,11-12H2,1H3
InChIKeyNGJKISOUWREETG-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

3-(2-chlorophenyl)-N-ethyl-2-(4-methylphenyl)propan-1-amine
CID 79435732
3-(2-bromophenyl)-2-(3-chlorophenyl)-N-propylpropan-1-amine
CID 79433426
3-(5-chloro-2-fluorophenyl)-N-ethyl-2-phenylpropan-1-amine
CID 103049753
2-(2-bromophenyl)-1-(4-chlorophenyl)-N-methylethanamine
CID 60817908
2-(4-chlorophenyl)-3-(2,6-difluorophenyl)-N-ethylpropan-1-amine
CID 114933720
2-(4-chlorophenyl)-3-(2-fluorophenyl)-N-propylpropan-1-amine
CID 79432118
2-(4-chlorophenyl)-3-(2-fluorophenyl)-N-methylpropan-1-amine
CID 79442386
2-(4-chlorophenyl)-N-ethyl-3-(5-ethylthiophen-2-yl)propan-1-amine
CID 79441550
2-(2-bromophenyl)-3-(2,3-dichlorophenyl)-N-ethylpropan-1-amine
CID 107309793
2-[(2-bromophenyl)methyl]-N-ethyl-3-(2-fluorophenyl)propan-1-amine
CID 63522301
3-(2-bromophenyl)-2-(4-bromophenyl)-N-propan-2-ylpropan-1-amine
CID 79430471
3-(2,5-dichlorophenyl)-N-ethyl-2-(4-methylphenyl)propan-1-amine
CID 79430391

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromophenyl)-2-(4-chlorophenyl)-N-ethylpropan-1-amine?
The IUPAC name of 3-(2-bromophenyl)-2-(4-chlorophenyl)-N-ethylpropan-1-amine (CID 79441626) is 3-(2-bromophenyl)-2-(4-chlorophenyl)-N-ethylpropan-1-amine.
What is the SMILES notation for 3-(2-bromophenyl)-2-(4-chlorophenyl)-N-ethylpropan-1-amine?
The canonical SMILES for 3-(2-bromophenyl)-2-(4-chlorophenyl)-N-ethylpropan-1-amine is CCNCC(Cc1ccccc1Br)c1ccc(Cl)cc1.
What is the InChIKey of 3-(2-bromophenyl)-2-(4-chlorophenyl)-N-ethylpropan-1-amine?
The InChIKey is NGJKISOUWREETG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrClN/c1-2-20-12-15(13-7-9-16(19)10-8-13)11-14-5-3-4-6-17(14)18/h3-10,15,20H,2,11-12H2,1H3.
What are the key properties of 3-(2-bromophenyl)-2-(4-chlorophenyl)-N-ethylpropan-1-amine?
3-(2-bromophenyl)-2-(4-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 3-(2-bromophenyl)-2-(4-chlorophenyl)-N-ethylpropan-1-amine is sourced from PubChem (CID 79441626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).