(1R)-N-[(2-bromo-4-fluorophenyl)methyl]-1-(3-bromophenyl)ethanamine

C15H14Br2FN — CID 81381880

IUPAC(1R)-N-[(2-bromo-4-fluorophenyl)methyl]-1-(3-bromophenyl)ethanamine
SMILESC[C@@H](NCc1ccc(F)cc1Br)c1cccc(Br)c1
InChIInChI=1S/C15H14Br2FN/c1-10(11-3-2-4-13(16)7-11)19-9-12-5-6-14(18)8-15(12)17/h2-8,10,19H,9H2,1H3/t10-/m1/s1
InChIKeyVMTZJIRDIIKQNT-SNVBAGLBSA-N
MW387.09 g/mol
LogP5.20
Rot. Bonds4

About (1R)-N-[(2-bromo-4-fluorophenyl)methyl]-1-(3-bromophenyl)ethanamine

(1R)-N-[(2-bromo-4-fluorophenyl)methyl]-1-(3-bromophenyl)ethanamine (PubChem CID 81381880) has the molecular formula C15H14Br2FN and a molecular weight of 387.09 g/mol. Its IUPAC name is (1R)-N-[(2-bromo-4-fluorophenyl)methyl]-1-(3-bromophenyl)ethanamine.

Molecular Properties

Compound Name(1R)-N-[(2-bromo-4-fluorophenyl)methyl]-1-(3-bromophenyl)ethanamine
PubChem CID81381880
Molecular FormulaC15H14Br2FN
Molecular Weight387.09 g/mol
Exact Mass384.95
IUPAC Name(1R)-N-[(2-bromo-4-fluorophenyl)methyl]-1-(3-bromophenyl)ethanamine
SMILESC[C@@H](NCc1ccc(F)cc1Br)c1cccc(Br)c1
InChIInChI=1S/C15H14Br2FN/c1-10(11-3-2-4-13(16)7-11)19-9-12-5-6-14(18)8-15(12)17/h2-8,10,19H,9H2,1H3/t10-/m1/s1
InChIKeyVMTZJIRDIIKQNT-SNVBAGLBSA-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

(1R)-N-[(2-bromo-4-fluorophenyl)methyl]-1-(3-chlorophenyl)ethanamine
CID 81372333
(1S)-1-(3-bromophenyl)-N-[(2,5-difluorophenyl)methyl]ethanamine
CID 81381728
(1R)-N-[(2-bromo-4-fluorophenyl)methyl]-1-(4-fluorophenyl)ethanamine
CID 81348351
1-(3-bromophenyl)-N-[(2,4,5-trifluorophenyl)methyl]ethanamine
CID 103792453
N-[(4-bromo-2-chlorophenyl)methyl]-1-(3-fluorophenyl)ethanamine
CID 115598223
(1R)-N-[(2-bromo-5-fluorophenyl)methyl]-1-(3-methylphenyl)ethanamine
CID 81360440
4-[[1-(3-bromophenyl)ethylamino]methyl]benzene-1,2,3-triol
CID 103953130
(1R)-N-[(2-bromo-4-fluorophenyl)methyl]-1-(2-fluorophenyl)ethanamine
CID 81380511
(1R)-1-(3-bromophenyl)-N-[(2-methylphenyl)methyl]ethanamine
CID 81371674
(1S)-N-[(4-bromo-3-fluorophenyl)methyl]-1-(3-bromophenyl)ethanamine
CID 81437241
(1R)-1-(3-bromophenyl)-N-[[2-(difluoromethoxy)phenyl]methyl]ethanamine
CID 29281708
(1R)-N-[(2-bromo-4-fluorophenyl)methyl]-1-(2-methoxyphenyl)ethanamine
CID 81386984

Frequently Asked Questions

What is the IUPAC name of (1R)-N-[(2-bromo-4-fluorophenyl)methyl]-1-(3-bromophenyl)ethanamine?
The IUPAC name of (1R)-N-[(2-bromo-4-fluorophenyl)methyl]-1-(3-bromophenyl)ethanamine (CID 81381880) is (1R)-N-[(2-bromo-4-fluorophenyl)methyl]-1-(3-bromophenyl)ethanamine.
What is the SMILES notation for (1R)-N-[(2-bromo-4-fluorophenyl)methyl]-1-(3-bromophenyl)ethanamine?
The canonical SMILES for (1R)-N-[(2-bromo-4-fluorophenyl)methyl]-1-(3-bromophenyl)ethanamine is C[C@@H](NCc1ccc(F)cc1Br)c1cccc(Br)c1.
What is the InChIKey of (1R)-N-[(2-bromo-4-fluorophenyl)methyl]-1-(3-bromophenyl)ethanamine?
The InChIKey is VMTZJIRDIIKQNT-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H14Br2FN/c1-10(11-3-2-4-13(16)7-11)19-9-12-5-6-14(18)8-15(12)17/h2-8,10,19H,9H2,1H3/t10-/m1/s1.
What are the key properties of (1R)-N-[(2-bromo-4-fluorophenyl)methyl]-1-(3-bromophenyl)ethanamine?
(1R)-N-[(2-bromo-4-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 (1R)-N-[(2-bromo-4-fluorophenyl)methyl]-1-(3-bromophenyl)ethanamine is sourced from PubChem (CID 81381880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).