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

C17H18Br2FN — CID 79437285

IUPAC3-(5-bromo-2-fluorophenyl)-2-(2-bromophenyl)-N-ethylpropan-1-amine
SMILESCCNCC(Cc1cc(Br)ccc1F)c1ccccc1Br
InChIInChI=1S/C17H18Br2FN/c1-2-21-11-13(15-5-3-4-6-16(15)19)9-12-10-14(18)7-8-17(12)20/h3-8,10,13,21H,2,9,11H2,1H3
InChIKeyLELWWFBHYXMDRS-UHFFFAOYSA-N
MW415.14 g/mol
LogP5.29
Rot. Bonds6

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

3-(5-bromo-2-fluorophenyl)-2-(2-bromophenyl)-N-ethylpropan-1-amine (PubChem CID 79437285) has the molecular formula C17H18Br2FN and a molecular weight of 415.14 g/mol. Its IUPAC name is 3-(5-bromo-2-fluorophenyl)-2-(2-bromophenyl)-N-ethylpropan-1-amine.

Molecular Properties

Compound Name3-(5-bromo-2-fluorophenyl)-2-(2-bromophenyl)-N-ethylpropan-1-amine
PubChem CID79437285
Molecular FormulaC17H18Br2FN
Molecular Weight415.14 g/mol
Exact Mass412.98
IUPAC Name3-(5-bromo-2-fluorophenyl)-2-(2-bromophenyl)-N-ethylpropan-1-amine
SMILESCCNCC(Cc1cc(Br)ccc1F)c1ccccc1Br
InChIInChI=1S/C17H18Br2FN/c1-2-21-11-13(15-5-3-4-6-16(15)19)9-12-10-14(18)7-8-17(12)20/h3-8,10,13,21H,2,9,11H2,1H3
InChIKeyLELWWFBHYXMDRS-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

3-(5-bromo-2-fluorophenyl)-2-(2-chlorophenyl)-N-ethylpropan-1-amine
CID 79435741
3-(5-bromo-2-fluorophenyl)-2-(3-bromophenyl)-N-ethylpropan-1-amine
CID 79430252
3-(2-bromo-4-fluorophenyl)-2-(2-bromophenyl)-N-ethylpropan-1-amine
CID 79436328
2-(2-bromophenyl)-3-(4-chloro-3-fluorophenyl)-N-ethylpropan-1-amine
CID 107897542
2-(2-bromophenyl)-3-(2,3-dichlorophenyl)-N-ethylpropan-1-amine
CID 107309793
2-(2-bromophenyl)-3-(4-chloro-2-fluorophenyl)-N-methylpropan-1-amine
CID 114858886
2-(5-bromo-2-fluorophenyl)-N-ethyl-1-(2-fluorophenyl)ethanamine
CID 63418096
3-(5-chloro-2-fluorophenyl)-N-ethyl-2-phenylpropan-1-amine
CID 103049753
2-(2-bromophenyl)-3-(3,4-dichlorophenyl)-N-ethylpropan-1-amine
CID 79436750
3-(2-bromo-4-fluorophenyl)-2-(2-bromophenyl)-N-methylpropan-1-amine
CID 79448852
3-(2-bromophenyl)-2-(4-chlorophenyl)-N-ethylpropan-1-amine
CID 79441626
[2-(5-bromo-2-fluorophenyl)-1-(2-ethylphenyl)ethyl]hydrazine
CID 105294990

Frequently Asked Questions

What is the IUPAC name of 3-(5-bromo-2-fluorophenyl)-2-(2-bromophenyl)-N-ethylpropan-1-amine?
The IUPAC name of 3-(5-bromo-2-fluorophenyl)-2-(2-bromophenyl)-N-ethylpropan-1-amine (CID 79437285) is 3-(5-bromo-2-fluorophenyl)-2-(2-bromophenyl)-N-ethylpropan-1-amine.
What is the SMILES notation for 3-(5-bromo-2-fluorophenyl)-2-(2-bromophenyl)-N-ethylpropan-1-amine?
The canonical SMILES for 3-(5-bromo-2-fluorophenyl)-2-(2-bromophenyl)-N-ethylpropan-1-amine is CCNCC(Cc1cc(Br)ccc1F)c1ccccc1Br.
What is the InChIKey of 3-(5-bromo-2-fluorophenyl)-2-(2-bromophenyl)-N-ethylpropan-1-amine?
The InChIKey is LELWWFBHYXMDRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Br2FN/c1-2-21-11-13(15-5-3-4-6-16(15)19)9-12-10-14(18)7-8-17(12)20/h3-8,10,13,21H,2,9,11H2,1H3.
What are the key properties of 3-(5-bromo-2-fluorophenyl)-2-(2-bromophenyl)-N-ethylpropan-1-amine?
3-(5-bromo-2-fluorophenyl)-2-(2-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-(2-bromophenyl)-N-ethylpropan-1-amine is sourced from PubChem (CID 79437285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).