1-(3-bromo-5-chlorophenyl)-N-ethyl-3-phenylpropan-1-amine

C17H19BrClN — CID 107945113

IUPAC1-(3-bromo-5-chlorophenyl)-N-ethyl-3-phenylpropan-1-amine
SMILESCCNC(CCc1ccccc1)c1cc(Cl)cc(Br)c1
InChIInChI=1S/C17H19BrClN/c1-2-20-17(9-8-13-6-4-3-5-7-13)14-10-15(18)12-16(19)11-14/h3-7,10-12,17,20H,2,8-9H2,1H3
InChIKeyVTQZGWSSAIIRAC-UHFFFAOYSA-N
MW352.70 g/mol
LogP5.39
Rot. Bonds6

About 1-(3-bromo-5-chlorophenyl)-N-ethyl-3-phenylpropan-1-amine

1-(3-bromo-5-chlorophenyl)-N-ethyl-3-phenylpropan-1-amine (PubChem CID 107945113) has the molecular formula C17H19BrClN and a molecular weight of 352.70 g/mol. Its IUPAC name is 1-(3-bromo-5-chlorophenyl)-N-ethyl-3-phenylpropan-1-amine.

Molecular Properties

Compound Name1-(3-bromo-5-chlorophenyl)-N-ethyl-3-phenylpropan-1-amine
PubChem CID107945113
Molecular FormulaC17H19BrClN
Molecular Weight352.70 g/mol
Exact Mass351.04
IUPAC Name1-(3-bromo-5-chlorophenyl)-N-ethyl-3-phenylpropan-1-amine
SMILESCCNC(CCc1ccccc1)c1cc(Cl)cc(Br)c1
InChIInChI=1S/C17H19BrClN/c1-2-20-17(9-8-13-6-4-3-5-7-13)14-10-15(18)12-16(19)11-14/h3-7,10-12,17,20H,2,8-9H2,1H3
InChIKeyVTQZGWSSAIIRAC-UHFFFAOYSA-N
XLogP5.39
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 ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-bromo-5-fluorophenyl)-N-ethyl-3-phenylpropan-1-amine
CID 66425447
1-(3-bromophenyl)-N-ethyl-3-phenylpropan-1-amine
CID 54919438
1-(3-bromo-5-chlorophenyl)-N-ethyl-2-(3-fluorophenyl)ethanamine
CID 107945134
1-(4-bromo-3-methylphenyl)-N-ethyl-3-phenylpropan-1-amine
CID 115793778
1-(3-bromo-5-chlorophenyl)-N-methyl-2-phenylethanamine
CID 114019196
1-(3-bromo-5-chlorophenyl)-N-ethyl-2-pyridin-3-ylethanamine
CID 107946692
1-(3-bromo-5-chlorophenyl)-N-ethyl-2-(3-methoxyphenyl)ethanamine
CID 107945442
1-(3-bromo-5-chlorophenyl)-N-propyl-3-thiophen-3-ylpropan-1-amine
CID 107945833
N-[(3-bromo-5-chlorophenyl)-(4-propylphenyl)methyl]ethanamine
CID 107945725
1-(3-bromo-5-chlorophenyl)-N-ethylbut-3-yn-1-amine
CID 107944942
1-(3-chlorophenyl)-N-ethyl-3-(4-methylphenyl)propan-1-amine
CID 105106501
1-(3-bromo-5-chlorophenyl)-N-ethyl-2-(4-methoxyphenyl)ethanamine
CID 107955243

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-5-chlorophenyl)-N-ethyl-3-phenylpropan-1-amine?
The IUPAC name of 1-(3-bromo-5-chlorophenyl)-N-ethyl-3-phenylpropan-1-amine (CID 107945113) is 1-(3-bromo-5-chlorophenyl)-N-ethyl-3-phenylpropan-1-amine.
What is the SMILES notation for 1-(3-bromo-5-chlorophenyl)-N-ethyl-3-phenylpropan-1-amine?
The canonical SMILES for 1-(3-bromo-5-chlorophenyl)-N-ethyl-3-phenylpropan-1-amine is CCNC(CCc1ccccc1)c1cc(Cl)cc(Br)c1.
What is the InChIKey of 1-(3-bromo-5-chlorophenyl)-N-ethyl-3-phenylpropan-1-amine?
The InChIKey is VTQZGWSSAIIRAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrClN/c1-2-20-17(9-8-13-6-4-3-5-7-13)14-10-15(18)12-16(19)11-14/h3-7,10-12,17,20H,2,8-9H2,1H3.
What are the key properties of 1-(3-bromo-5-chlorophenyl)-N-ethyl-3-phenylpropan-1-amine?
1-(3-bromo-5-chlorophenyl)-N-ethyl-3-phenylpropan-1-amine has a molecular weight of 352.70 g/mol, XLogP of 5.39, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-5-chlorophenyl)-N-ethyl-3-phenylpropan-1-amine is sourced from PubChem (CID 107945113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).