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

C17H19BrFN — CID 66425447

IUPAC1-(3-bromo-5-fluorophenyl)-N-ethyl-3-phenylpropan-1-amine
SMILESCCNC(CCc1ccccc1)c1cc(F)cc(Br)c1
InChIInChI=1S/C17H19BrFN/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
InChIKeyJVFJSPLPDAXECH-UHFFFAOYSA-N
MW336.25 g/mol
LogP4.87
Rot. Bonds6

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

1-(3-bromo-5-fluorophenyl)-N-ethyl-3-phenylpropan-1-amine (PubChem CID 66425447) has the molecular formula C17H19BrFN and a molecular weight of 336.25 g/mol. Its IUPAC name is 1-(3-bromo-5-fluorophenyl)-N-ethyl-3-phenylpropan-1-amine.

Molecular Properties

Compound Name1-(3-bromo-5-fluorophenyl)-N-ethyl-3-phenylpropan-1-amine
PubChem CID66425447
Molecular FormulaC17H19BrFN
Molecular Weight336.25 g/mol
Exact Mass335.07
IUPAC Name1-(3-bromo-5-fluorophenyl)-N-ethyl-3-phenylpropan-1-amine
SMILESCCNC(CCc1ccccc1)c1cc(F)cc(Br)c1
InChIInChI=1S/C17H19BrFN/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
InChIKeyJVFJSPLPDAXECH-UHFFFAOYSA-N
XLogP4.87
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.25
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-bromo-5-chlorophenyl)-N-ethyl-3-phenylpropan-1-amine
CID 107945113
1-(3-bromophenyl)-N-ethyl-3-phenylpropan-1-amine
CID 54919438
1-(3-bromo-5-fluorophenyl)-N-ethyl-2-(2-methylphenyl)ethanamine
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1-(4-bromo-3-methylphenyl)-N-ethyl-3-phenylpropan-1-amine
CID 115793778
1-(3-bromo-5-fluorophenyl)-N-ethyl-4,4,4-trifluorobutan-1-amine
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1-(3-bromo-5-fluorophenyl)-N-ethylnonan-1-amine
CID 66424848
1-(3,5-difluorophenyl)-N-ethyl-3-pyridin-3-ylpropan-1-amine
CID 105142109
1-(3-bromo-5-fluorophenyl)-N-ethyl-2-(4-iodophenyl)ethanamine
CID 66426048
1-(2-chloro-5-fluorophenyl)-N-ethyl-3-phenylpropan-1-amine
CID 105394782
1-(3-bromo-5-fluorophenyl)-N-ethylpent-3-yn-1-amine
CID 66425049
2-(3-bromo-5-fluorophenyl)-N-ethyl-1-(3-fluorophenyl)ethanamine
CID 79702815
N-ethyl-3-(5-fluoro-3-pyridinyl)-1-phenylpropan-1-amine
CID 64500356

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-5-fluorophenyl)-N-ethyl-3-phenylpropan-1-amine?
The IUPAC name of 1-(3-bromo-5-fluorophenyl)-N-ethyl-3-phenylpropan-1-amine (CID 66425447) is 1-(3-bromo-5-fluorophenyl)-N-ethyl-3-phenylpropan-1-amine.
What is the SMILES notation for 1-(3-bromo-5-fluorophenyl)-N-ethyl-3-phenylpropan-1-amine?
The canonical SMILES for 1-(3-bromo-5-fluorophenyl)-N-ethyl-3-phenylpropan-1-amine is CCNC(CCc1ccccc1)c1cc(F)cc(Br)c1.
What is the InChIKey of 1-(3-bromo-5-fluorophenyl)-N-ethyl-3-phenylpropan-1-amine?
The InChIKey is JVFJSPLPDAXECH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrFN/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-fluorophenyl)-N-ethyl-3-phenylpropan-1-amine?
1-(3-bromo-5-fluorophenyl)-N-ethyl-3-phenylpropan-1-amine has a molecular weight of 336.25 g/mol, XLogP of 4.87, 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-fluorophenyl)-N-ethyl-3-phenylpropan-1-amine is sourced from PubChem (CID 66425447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).