1-(3-bromo-4-fluorophenyl)-N-[(3-bromophenyl)methyl]ethanamine

C15H14Br2FN — CID 61401322

IUPAC1-(3-bromo-4-fluorophenyl)-N-[(3-bromophenyl)methyl]ethanamine
SMILESCC(NCc1cccc(Br)c1)c1ccc(F)c(Br)c1
InChIInChI=1S/C15H14Br2FN/c1-10(12-5-6-15(18)14(17)8-12)19-9-11-3-2-4-13(16)7-11/h2-8,10,19H,9H2,1H3
InChIKeyWSOFOWFCJLBCDL-UHFFFAOYSA-N
MW387.09 g/mol
LogP5.20
Rot. Bonds4

About 1-(3-bromo-4-fluorophenyl)-N-[(3-bromophenyl)methyl]ethanamine

1-(3-bromo-4-fluorophenyl)-N-[(3-bromophenyl)methyl]ethanamine (PubChem CID 61401322) has the molecular formula C15H14Br2FN and a molecular weight of 387.09 g/mol. Its IUPAC name is 1-(3-bromo-4-fluorophenyl)-N-[(3-bromophenyl)methyl]ethanamine.

Molecular Properties

Compound Name1-(3-bromo-4-fluorophenyl)-N-[(3-bromophenyl)methyl]ethanamine
PubChem CID61401322
Molecular FormulaC15H14Br2FN
Molecular Weight387.09 g/mol
Exact Mass384.95
IUPAC Name1-(3-bromo-4-fluorophenyl)-N-[(3-bromophenyl)methyl]ethanamine
SMILESCC(NCc1cccc(Br)c1)c1ccc(F)c(Br)c1
InChIInChI=1S/C15H14Br2FN/c1-10(12-5-6-15(18)14(17)8-12)19-9-11-3-2-4-13(16)7-11/h2-8,10,19H,9H2,1H3
InChIKeyWSOFOWFCJLBCDL-UHFFFAOYSA-N
XLogP5.20
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.09
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(3-bromophenyl)methyl]-1-(3,4-difluorophenyl)ethanamine
CID 43221580
(1R)-N-[(3-bromophenyl)methyl]-1-(4-chlorophenyl)ethanamine
CID 28645148
(1S)-N-[(4-bromo-3-fluorophenyl)methyl]-1-(3-bromophenyl)ethanamine
CID 81437241
(1S)-N-[(3-bromophenyl)methyl]-1-(4-methylphenyl)ethanamine
CID 81349778
N-[(3-bromophenyl)methyl]-1-phenylethanamine
CID 2756844
(1R)-N-[(3-bromo-4-fluorophenyl)methyl]-1-(3-methoxyphenyl)ethanamine
CID 81376213
N-[(3-bromophenyl)methyl]-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 43221563
(1S)-1-(3-bromophenyl)-N-[(3-fluoro-4-methoxyphenyl)methyl]ethanamine
CID 81382171
N-[(3-bromophenyl)methyl]-1-(2,4-dibromophenyl)ethanamine
CID 55191985
N-[(3-bromo-4-fluorophenyl)methyl]-1-pyridin-4-ylethanamine
CID 43181011
(1S)-N-[(4-bromo-3-fluorophenyl)methyl]-1-(3-fluorophenyl)ethanamine
CID 81436844
1-(3-bromophenyl)-N-[(3-chloro-5-fluorophenyl)methyl]ethanamine
CID 114452325

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-fluorophenyl)-N-[(3-bromophenyl)methyl]ethanamine?
The IUPAC name of 1-(3-bromo-4-fluorophenyl)-N-[(3-bromophenyl)methyl]ethanamine (CID 61401322) is 1-(3-bromo-4-fluorophenyl)-N-[(3-bromophenyl)methyl]ethanamine.
What is the SMILES notation for 1-(3-bromo-4-fluorophenyl)-N-[(3-bromophenyl)methyl]ethanamine?
The canonical SMILES for 1-(3-bromo-4-fluorophenyl)-N-[(3-bromophenyl)methyl]ethanamine is CC(NCc1cccc(Br)c1)c1ccc(F)c(Br)c1.
What is the InChIKey of 1-(3-bromo-4-fluorophenyl)-N-[(3-bromophenyl)methyl]ethanamine?
The InChIKey is WSOFOWFCJLBCDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Br2FN/c1-10(12-5-6-15(18)14(17)8-12)19-9-11-3-2-4-13(16)7-11/h2-8,10,19H,9H2,1H3.
What are the key properties of 1-(3-bromo-4-fluorophenyl)-N-[(3-bromophenyl)methyl]ethanamine?
1-(3-bromo-4-fluorophenyl)-N-[(3-bromophenyl)methyl]ethanamine has a molecular weight of 387.09 g/mol, XLogP of 5.20, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-4-fluorophenyl)-N-[(3-bromophenyl)methyl]ethanamine is sourced from PubChem (CID 61401322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).