3-(3-bromo-2-fluorophenyl)-N-ethyl-1-phenylpropan-1-amine

C17H19BrFN — CID 106646599

IUPAC3-(3-bromo-2-fluorophenyl)-N-ethyl-1-phenylpropan-1-amine
SMILESCCNC(CCc1cccc(Br)c1F)c1ccccc1
InChIInChI=1S/C17H19BrFN/c1-2-20-16(13-7-4-3-5-8-13)12-11-14-9-6-10-15(18)17(14)19/h3-10,16,20H,2,11-12H2,1H3
InChIKeyWVFAUMHQBLJGFL-UHFFFAOYSA-N
MW336.25 g/mol
LogP4.87
Rot. Bonds6

About 3-(3-bromo-2-fluorophenyl)-N-ethyl-1-phenylpropan-1-amine

3-(3-bromo-2-fluorophenyl)-N-ethyl-1-phenylpropan-1-amine (PubChem CID 106646599) has the molecular formula C17H19BrFN and a molecular weight of 336.25 g/mol. Its IUPAC name is 3-(3-bromo-2-fluorophenyl)-N-ethyl-1-phenylpropan-1-amine.

Molecular Properties

Compound Name3-(3-bromo-2-fluorophenyl)-N-ethyl-1-phenylpropan-1-amine
PubChem CID106646599
Molecular FormulaC17H19BrFN
Molecular Weight336.25 g/mol
Exact Mass335.07
IUPAC Name3-(3-bromo-2-fluorophenyl)-N-ethyl-1-phenylpropan-1-amine
SMILESCCNC(CCc1cccc(Br)c1F)c1ccccc1
InChIInChI=1S/C17H19BrFN/c1-2-20-16(13-7-4-3-5-8-13)12-11-14-9-6-10-15(18)17(14)19/h3-10,16,20H,2,11-12H2,1H3
InChIKeyWVFAUMHQBLJGFL-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

3-(4-bromo-3-chloro-2-fluorophenyl)-N-ethyl-1-phenylpropan-1-amine
CID 106763459
N-ethyl-3-(2-fluorophenyl)-1-phenylpropan-1-amine
CID 54891295
3-(3-bromo-2,6-difluorophenyl)-N-ethyl-1-phenylpropan-1-amine
CID 106943528
4-(2-bromo-4-fluorophenyl)-N-ethyl-1-phenylbutan-1-amine
CID 64501827
1-(3-bromophenyl)-N-ethyl-3-phenylpropan-1-amine
CID 54919438
2-(2,3-difluorophenyl)-N-ethyl-1-phenylethanamine
CID 55095211
1-(3-bromo-2-fluorophenyl)-N-ethyl-3-pyridin-3-ylpropan-1-amine
CID 106647869
4-(2,6-difluorophenyl)-N-ethyl-1-phenylbutan-1-amine
CID 114934436
3-(2-chloro-6-fluorophenyl)-N-ethyl-1-phenylpropan-1-amine
CID 63400371
N-ethyl-3-(3-fluoro-4-methylphenyl)-1-phenylpropan-1-amine
CID 107129437
N-ethyl-3-(5-fluoro-3-pyridinyl)-1-phenylpropan-1-amine
CID 64500356
1-(3-bromo-5-fluorophenyl)-N-ethyl-3-phenylpropan-1-amine
CID 66425447

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromo-2-fluorophenyl)-N-ethyl-1-phenylpropan-1-amine?
The IUPAC name of 3-(3-bromo-2-fluorophenyl)-N-ethyl-1-phenylpropan-1-amine (CID 106646599) is 3-(3-bromo-2-fluorophenyl)-N-ethyl-1-phenylpropan-1-amine.
What is the SMILES notation for 3-(3-bromo-2-fluorophenyl)-N-ethyl-1-phenylpropan-1-amine?
The canonical SMILES for 3-(3-bromo-2-fluorophenyl)-N-ethyl-1-phenylpropan-1-amine is CCNC(CCc1cccc(Br)c1F)c1ccccc1.
What is the InChIKey of 3-(3-bromo-2-fluorophenyl)-N-ethyl-1-phenylpropan-1-amine?
The InChIKey is WVFAUMHQBLJGFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrFN/c1-2-20-16(13-7-4-3-5-8-13)12-11-14-9-6-10-15(18)17(14)19/h3-10,16,20H,2,11-12H2,1H3.
What are the key properties of 3-(3-bromo-2-fluorophenyl)-N-ethyl-1-phenylpropan-1-amine?
3-(3-bromo-2-fluorophenyl)-N-ethyl-1-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 3-(3-bromo-2-fluorophenyl)-N-ethyl-1-phenylpropan-1-amine is sourced from PubChem (CID 106646599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).