3-(5-bromo-2-fluorophenyl)-2-(3-bromophenyl)-N-ethylpropan-1-amine

C17H18Br2FN — CID 79430252

IUPAC3-(5-bromo-2-fluorophenyl)-2-(3-bromophenyl)-N-ethylpropan-1-amine
SMILESCCNCC(Cc1cc(Br)ccc1F)c1cccc(Br)c1
InChIInChI=1S/C17H18Br2FN/c1-2-21-11-14(12-4-3-5-15(18)9-12)8-13-10-16(19)6-7-17(13)20/h3-7,9-10,14,21H,2,8,11H2,1H3
InChIKeyXIEMTLHJFMAAHF-UHFFFAOYSA-N
MW415.14 g/mol
LogP5.29
Rot. Bonds6

About 3-(5-bromo-2-fluorophenyl)-2-(3-bromophenyl)-N-ethylpropan-1-amine

3-(5-bromo-2-fluorophenyl)-2-(3-bromophenyl)-N-ethylpropan-1-amine (PubChem CID 79430252) has the molecular formula C17H18Br2FN and a molecular weight of 415.14 g/mol. Its IUPAC name is 3-(5-bromo-2-fluorophenyl)-2-(3-bromophenyl)-N-ethylpropan-1-amine.

Molecular Properties

Compound Name3-(5-bromo-2-fluorophenyl)-2-(3-bromophenyl)-N-ethylpropan-1-amine
PubChem CID79430252
Molecular FormulaC17H18Br2FN
Molecular Weight415.14 g/mol
Exact Mass412.98
IUPAC Name3-(5-bromo-2-fluorophenyl)-2-(3-bromophenyl)-N-ethylpropan-1-amine
SMILESCCNCC(Cc1cc(Br)ccc1F)c1cccc(Br)c1
InChIInChI=1S/C17H18Br2FN/c1-2-21-11-14(12-4-3-5-15(18)9-12)8-13-10-16(19)6-7-17(13)20/h3-7,9-10,14,21H,2,8,11H2,1H3
InChIKeyXIEMTLHJFMAAHF-UHFFFAOYSA-N
XLogP5.29
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.14
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3-bromophenyl)-3-(4-chloro-2-fluorophenyl)-N-ethylpropan-1-amine
CID 114858847
2-(3-bromophenyl)-3-(2,5-difluorophenyl)-N-methylpropan-1-amine
CID 79443064
3-(5-bromo-2-fluorophenyl)-2-(2-bromophenyl)-N-ethylpropan-1-amine
CID 79437285
2-(3-bromophenyl)-3-(3-chloro-4-fluorophenyl)-N-ethylpropan-1-amine
CID 103041147
4-bromo-2-[2-(3-bromophenyl)-3-chloropropyl]-1-fluorobenzene
CID 79431234
3-(5-bromo-2-fluorophenyl)-2-(2-chlorophenyl)-N-ethylpropan-1-amine
CID 79435741
3-(5-chloro-2-fluorophenyl)-N-ethyl-2-phenylpropan-1-amine
CID 103049753
3-(3-bromophenyl)-N-ethyl-2-(3-fluorophenyl)propan-1-amine
CID 79440215
2-(3-bromophenyl)-3-(3-chlorophenyl)-N-ethylpropan-1-amine
CID 79443421
N-ethyl-3-(2-fluorophenyl)-2-(3-methylphenyl)propan-1-amine
CID 79417898
3-(4-chloro-2-fluorophenyl)-N-ethyl-2-(3-fluorophenyl)propan-1-amine
CID 114858835
2-(3-chlorophenyl)-3-(2,4-difluorophenyl)-N-ethylpropan-1-amine
CID 79433435

Frequently Asked Questions

What is the IUPAC name of 3-(5-bromo-2-fluorophenyl)-2-(3-bromophenyl)-N-ethylpropan-1-amine?
The IUPAC name of 3-(5-bromo-2-fluorophenyl)-2-(3-bromophenyl)-N-ethylpropan-1-amine (CID 79430252) is 3-(5-bromo-2-fluorophenyl)-2-(3-bromophenyl)-N-ethylpropan-1-amine.
What is the SMILES notation for 3-(5-bromo-2-fluorophenyl)-2-(3-bromophenyl)-N-ethylpropan-1-amine?
The canonical SMILES for 3-(5-bromo-2-fluorophenyl)-2-(3-bromophenyl)-N-ethylpropan-1-amine is CCNCC(Cc1cc(Br)ccc1F)c1cccc(Br)c1.
What is the InChIKey of 3-(5-bromo-2-fluorophenyl)-2-(3-bromophenyl)-N-ethylpropan-1-amine?
The InChIKey is XIEMTLHJFMAAHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Br2FN/c1-2-21-11-14(12-4-3-5-15(18)9-12)8-13-10-16(19)6-7-17(13)20/h3-7,9-10,14,21H,2,8,11H2,1H3.
What are the key properties of 3-(5-bromo-2-fluorophenyl)-2-(3-bromophenyl)-N-ethylpropan-1-amine?
3-(5-bromo-2-fluorophenyl)-2-(3-bromophenyl)-N-ethylpropan-1-amine has a molecular weight of 415.14 g/mol, XLogP of 5.29, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromo-2-fluorophenyl)-2-(3-bromophenyl)-N-ethylpropan-1-amine is sourced from PubChem (CID 79430252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).