1-(4-bromo-2-fluorophenyl)-N-ethyl-3-(4-fluorophenyl)propan-2-amine

C17H18BrF2N — CID 62602075

IUPAC1-(4-bromo-2-fluorophenyl)-N-ethyl-3-(4-fluorophenyl)propan-2-amine
SMILESCCNC(Cc1ccc(F)cc1)Cc1ccc(Br)cc1F
InChIInChI=1S/C17H18BrF2N/c1-2-21-16(9-12-3-7-15(19)8-4-12)10-13-5-6-14(18)11-17(13)20/h3-8,11,16,21H,2,9-10H2,1H3
InChIKeyDJNHSBBPQMIHLW-UHFFFAOYSA-N
MW354.24 g/mol
LogP4.49
Rot. Bonds6

About 1-(4-bromo-2-fluorophenyl)-N-ethyl-3-(4-fluorophenyl)propan-2-amine

1-(4-bromo-2-fluorophenyl)-N-ethyl-3-(4-fluorophenyl)propan-2-amine (PubChem CID 62602075) has the molecular formula C17H18BrF2N and a molecular weight of 354.24 g/mol. Its IUPAC name is 1-(4-bromo-2-fluorophenyl)-N-ethyl-3-(4-fluorophenyl)propan-2-amine.

Molecular Properties

Compound Name1-(4-bromo-2-fluorophenyl)-N-ethyl-3-(4-fluorophenyl)propan-2-amine
PubChem CID62602075
Molecular FormulaC17H18BrF2N
Molecular Weight354.24 g/mol
Exact Mass353.06
IUPAC Name1-(4-bromo-2-fluorophenyl)-N-ethyl-3-(4-fluorophenyl)propan-2-amine
SMILESCCNC(Cc1ccc(F)cc1)Cc1ccc(Br)cc1F
InChIInChI=1S/C17H18BrF2N/c1-2-21-16(9-12-3-7-15(19)8-4-12)10-13-5-6-14(18)11-17(13)20/h3-8,11,16,21H,2,9-10H2,1H3
InChIKeyDJNHSBBPQMIHLW-UHFFFAOYSA-N
XLogP4.49
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.24
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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1-(4-bromo-2-fluorophenyl)-N-ethylnonan-2-amine
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1-(4-bromo-2-fluorophenyl)-N-ethyl-3-(2-methyl-1,3-thiazol-4-yl)propan-2-amine
CID 62798822
1-(3,4-difluorophenyl)-N-ethyl-3-(4-fluorophenyl)propan-2-amine
CID 82909863
1-(4-bromo-2-fluorophenyl)-N-ethyl-3-pyridin-2-ylpropan-2-amine
CID 62600960
1-(2,4-difluorophenyl)-N-ethyl-3-(2-fluorophenyl)propan-2-amine
CID 62196900
1-(4-bromophenyl)-3-(4-chloro-3-fluorophenyl)-N-ethylpropan-2-amine
CID 107884489
1-(3-bromothiophen-2-yl)-N-ethyl-3-(4-fluorophenyl)propan-2-amine
CID 62602453
1-(2,5-dibromophenyl)-N-ethyl-2-(4-fluorophenyl)ethanamine
CID 43489690
2-(4-bromo-2-fluorophenyl)-N-ethyl-1-(3-fluorophenyl)ethanamine
CID 63414422
1-(2-bromo-5-fluorophenyl)-N-ethyl-3-pyridin-4-ylpropan-2-amine
CID 62603056
1-(2,4-difluorophenyl)-N-ethyl-3-(1-methylpyrazol-4-yl)propan-2-amine
CID 64559283

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-fluorophenyl)-N-ethyl-3-(4-fluorophenyl)propan-2-amine?
The IUPAC name of 1-(4-bromo-2-fluorophenyl)-N-ethyl-3-(4-fluorophenyl)propan-2-amine (CID 62602075) is 1-(4-bromo-2-fluorophenyl)-N-ethyl-3-(4-fluorophenyl)propan-2-amine.
What is the SMILES notation for 1-(4-bromo-2-fluorophenyl)-N-ethyl-3-(4-fluorophenyl)propan-2-amine?
The canonical SMILES for 1-(4-bromo-2-fluorophenyl)-N-ethyl-3-(4-fluorophenyl)propan-2-amine is CCNC(Cc1ccc(F)cc1)Cc1ccc(Br)cc1F.
What is the InChIKey of 1-(4-bromo-2-fluorophenyl)-N-ethyl-3-(4-fluorophenyl)propan-2-amine?
The InChIKey is DJNHSBBPQMIHLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrF2N/c1-2-21-16(9-12-3-7-15(19)8-4-12)10-13-5-6-14(18)11-17(13)20/h3-8,11,16,21H,2,9-10H2,1H3.
What are the key properties of 1-(4-bromo-2-fluorophenyl)-N-ethyl-3-(4-fluorophenyl)propan-2-amine?
1-(4-bromo-2-fluorophenyl)-N-ethyl-3-(4-fluorophenyl)propan-2-amine has a molecular weight of 354.24 g/mol, XLogP of 4.49, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-fluorophenyl)-N-ethyl-3-(4-fluorophenyl)propan-2-amine is sourced from PubChem (CID 62602075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).