1-(2,4-dibromophenyl)-N-[(2-fluorophenyl)methyl]ethanamine

C15H14Br2FN — CID 60781421

IUPAC1-(2,4-dibromophenyl)-N-[(2-fluorophenyl)methyl]ethanamine
SMILESCC(NCc1ccccc1F)c1ccc(Br)cc1Br
InChIInChI=1S/C15H14Br2FN/c1-10(13-7-6-12(16)8-14(13)17)19-9-11-4-2-3-5-15(11)18/h2-8,10,19H,9H2,1H3
InChIKeyVPZMSAOKRMUZRW-UHFFFAOYSA-N
MW387.09 g/mol
LogP5.20
Rot. Bonds4

About 1-(2,4-dibromophenyl)-N-[(2-fluorophenyl)methyl]ethanamine

1-(2,4-dibromophenyl)-N-[(2-fluorophenyl)methyl]ethanamine (PubChem CID 60781421) has the molecular formula C15H14Br2FN and a molecular weight of 387.09 g/mol. Its IUPAC name is 1-(2,4-dibromophenyl)-N-[(2-fluorophenyl)methyl]ethanamine.

Molecular Properties

Compound Name1-(2,4-dibromophenyl)-N-[(2-fluorophenyl)methyl]ethanamine
PubChem CID60781421
Molecular FormulaC15H14Br2FN
Molecular Weight387.09 g/mol
Exact Mass384.95
IUPAC Name1-(2,4-dibromophenyl)-N-[(2-fluorophenyl)methyl]ethanamine
SMILESCC(NCc1ccccc1F)c1ccc(Br)cc1Br
InChIInChI=1S/C15H14Br2FN/c1-10(13-7-6-12(16)8-14(13)17)19-9-11-4-2-3-5-15(11)18/h2-8,10,19H,9H2,1H3
InChIKeyVPZMSAOKRMUZRW-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

1-(5-bromo-2-fluorophenyl)-N-[(2-methylphenyl)methyl]ethanamine
CID 81301866
(1R)-N-[(4-bromo-2-fluorophenyl)methyl]-1-(2-methylphenyl)ethanamine
CID 81375118
1-(5-bromo-2-fluorophenyl)-N-[(5-bromo-2-fluorophenyl)methyl]ethanamine
CID 82964766
(1S)-N-[(4-bromo-2-fluorophenyl)methyl]-1-(2-chlorophenyl)ethanamine
CID 81377623
N-[(3-bromophenyl)methyl]-1-(2,4-dibromophenyl)ethanamine
CID 55191985
N-[(5-bromo-2-fluorophenyl)methyl]-1-(2,4-dichlorophenyl)ethanamine
CID 43078406
(1R)-1-(2-bromophenyl)-N-[(2-fluoro-5-methylphenyl)methyl]ethanamine
CID 103880955
(1S)-1-(2-bromophenyl)-N-[(2-fluoro-5-methylphenyl)methyl]ethanamine
CID 103880970
N-[(3,5-dibromo-2-methoxyphenyl)methyl]-1-(2-fluorophenyl)ethanamine
CID 60658981
(1R)-N-[(2-bromo-5-fluorophenyl)methyl]-1-(2-fluorophenyl)ethanamine
CID 81380519
2-[[1-(4-bromo-2-chlorophenyl)ethylamino]methyl]phenol
CID 114331621
(1R)-N-[(2-bromo-4-fluorophenyl)methyl]-1-(2-fluorophenyl)ethanamine
CID 81380511

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dibromophenyl)-N-[(2-fluorophenyl)methyl]ethanamine?
The IUPAC name of 1-(2,4-dibromophenyl)-N-[(2-fluorophenyl)methyl]ethanamine (CID 60781421) is 1-(2,4-dibromophenyl)-N-[(2-fluorophenyl)methyl]ethanamine.
What is the SMILES notation for 1-(2,4-dibromophenyl)-N-[(2-fluorophenyl)methyl]ethanamine?
The canonical SMILES for 1-(2,4-dibromophenyl)-N-[(2-fluorophenyl)methyl]ethanamine is CC(NCc1ccccc1F)c1ccc(Br)cc1Br.
What is the InChIKey of 1-(2,4-dibromophenyl)-N-[(2-fluorophenyl)methyl]ethanamine?
The InChIKey is VPZMSAOKRMUZRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Br2FN/c1-10(13-7-6-12(16)8-14(13)17)19-9-11-4-2-3-5-15(11)18/h2-8,10,19H,9H2,1H3.
What are the key properties of 1-(2,4-dibromophenyl)-N-[(2-fluorophenyl)methyl]ethanamine?
1-(2,4-dibromophenyl)-N-[(2-fluorophenyl)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-(2,4-dibromophenyl)-N-[(2-fluorophenyl)methyl]ethanamine is sourced from PubChem (CID 60781421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).