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

C15H14Br2FN — CID 81437241

IUPAC(1S)-N-[(4-bromo-3-fluorophenyl)methyl]-1-(3-bromophenyl)ethanamine
SMILESC[C@H](NCc1ccc(Br)c(F)c1)c1cccc(Br)c1
InChIInChI=1S/C15H14Br2FN/c1-10(12-3-2-4-13(16)8-12)19-9-11-5-6-14(17)15(18)7-11/h2-8,10,19H,9H2,1H3/t10-/m0/s1
InChIKeyLWLYYUNVKZQUEN-JTQLQIEISA-N
MW387.09 g/mol
LogP5.20
Rot. Bonds4

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

(1S)-N-[(4-bromo-3-fluorophenyl)methyl]-1-(3-bromophenyl)ethanamine (PubChem CID 81437241) has the molecular formula C15H14Br2FN and a molecular weight of 387.09 g/mol. Its IUPAC name is (1S)-N-[(4-bromo-3-fluorophenyl)methyl]-1-(3-bromophenyl)ethanamine.

Molecular Properties

Compound Name(1S)-N-[(4-bromo-3-fluorophenyl)methyl]-1-(3-bromophenyl)ethanamine
PubChem CID81437241
Molecular FormulaC15H14Br2FN
Molecular Weight387.09 g/mol
Exact Mass384.95
IUPAC Name(1S)-N-[(4-bromo-3-fluorophenyl)methyl]-1-(3-bromophenyl)ethanamine
SMILESC[C@H](NCc1ccc(Br)c(F)c1)c1cccc(Br)c1
InChIInChI=1S/C15H14Br2FN/c1-10(12-3-2-4-13(16)8-12)19-9-11-5-6-14(17)15(18)7-11/h2-8,10,19H,9H2,1H3/t10-/m0/s1
InChIKeyLWLYYUNVKZQUEN-JTQLQIEISA-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

(1S)-N-[(4-bromo-3-fluorophenyl)methyl]-1-(3-fluorophenyl)ethanamine
CID 81436844
(1S)-1-(3-bromophenyl)-N-[(3-fluoro-4-methoxyphenyl)methyl]ethanamine
CID 81382171
(1R)-N-[(4-bromo-3-fluorophenyl)methyl]-1-(3-methoxyphenyl)ethanamine
CID 81437346
4-[[[(1R)-1-(3-bromophenyl)ethyl]amino]methyl]phenol
CID 81381238
1-(3-bromo-4-fluorophenyl)-N-[(3-bromophenyl)methyl]ethanamine
CID 61401322
(1S)-1-(3-bromophenyl)-N-[[4-(2-methylpropyl)phenyl]methyl]ethanamine
CID 81382162
N-[(4-bromo-3-nitrophenyl)methyl]-1-(3-bromophenyl)ethanamine
CID 43426714
N-[(3-bromophenyl)methyl]-1-(3,4-difluorophenyl)ethanamine
CID 43221580
1-(3-bromophenyl)-N-[(3,4-dichlorophenyl)methyl]ethanamine
CID 43426655
(1S)-N-[(3,4-difluorophenyl)methyl]-1-(3-fluorophenyl)ethanamine
CID 28682654
N-[(4-bromo-3-fluorophenyl)methyl]-1-(3-bromo-4-methoxyphenyl)ethanamine
CID 81431633
1-(3-bromophenyl)-N-[(2,4,5-trifluorophenyl)methyl]ethanamine
CID 103792453

Frequently Asked Questions

What is the IUPAC name of (1S)-N-[(4-bromo-3-fluorophenyl)methyl]-1-(3-bromophenyl)ethanamine?
The IUPAC name of (1S)-N-[(4-bromo-3-fluorophenyl)methyl]-1-(3-bromophenyl)ethanamine (CID 81437241) is (1S)-N-[(4-bromo-3-fluorophenyl)methyl]-1-(3-bromophenyl)ethanamine.
What is the SMILES notation for (1S)-N-[(4-bromo-3-fluorophenyl)methyl]-1-(3-bromophenyl)ethanamine?
The canonical SMILES for (1S)-N-[(4-bromo-3-fluorophenyl)methyl]-1-(3-bromophenyl)ethanamine is C[C@H](NCc1ccc(Br)c(F)c1)c1cccc(Br)c1.
What is the InChIKey of (1S)-N-[(4-bromo-3-fluorophenyl)methyl]-1-(3-bromophenyl)ethanamine?
The InChIKey is LWLYYUNVKZQUEN-JTQLQIEISA-N. The full InChI is InChI=1S/C15H14Br2FN/c1-10(12-3-2-4-13(16)8-12)19-9-11-5-6-14(17)15(18)7-11/h2-8,10,19H,9H2,1H3/t10-/m0/s1.
What are the key properties of (1S)-N-[(4-bromo-3-fluorophenyl)methyl]-1-(3-bromophenyl)ethanamine?
(1S)-N-[(4-bromo-3-fluorophenyl)methyl]-1-(3-bromophenyl)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 (1S)-N-[(4-bromo-3-fluorophenyl)methyl]-1-(3-bromophenyl)ethanamine is sourced from PubChem (CID 81437241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).