(1R)-N-[(5-bromo-2-fluorophenyl)methyl]-1-(4-chlorophenyl)ethanamine

C15H14BrClFN — CID 28645128

IUPAC(1R)-N-[(5-bromo-2-fluorophenyl)methyl]-1-(4-chlorophenyl)ethanamine
SMILESC[C@@H](NCc1cc(Br)ccc1F)c1ccc(Cl)cc1
InChIInChI=1S/C15H14BrClFN/c1-10(11-2-5-14(17)6-3-11)19-9-12-8-13(16)4-7-15(12)18/h2-8,10,19H,9H2,1H3/t10-/m1/s1
InChIKeyVWTGLOXUNXXCON-SNVBAGLBSA-N
MW342.64 g/mol
LogP5.09
Rot. Bonds4

About (1R)-N-[(5-bromo-2-fluorophenyl)methyl]-1-(4-chlorophenyl)ethanamine

(1R)-N-[(5-bromo-2-fluorophenyl)methyl]-1-(4-chlorophenyl)ethanamine (PubChem CID 28645128) has the molecular formula C15H14BrClFN and a molecular weight of 342.64 g/mol. Its IUPAC name is (1R)-N-[(5-bromo-2-fluorophenyl)methyl]-1-(4-chlorophenyl)ethanamine.

Molecular Properties

Compound Name(1R)-N-[(5-bromo-2-fluorophenyl)methyl]-1-(4-chlorophenyl)ethanamine
PubChem CID28645128
Molecular FormulaC15H14BrClFN
Molecular Weight342.64 g/mol
Exact Mass341.00
IUPAC Name(1R)-N-[(5-bromo-2-fluorophenyl)methyl]-1-(4-chlorophenyl)ethanamine
SMILESC[C@@H](NCc1cc(Br)ccc1F)c1ccc(Cl)cc1
InChIInChI=1S/C15H14BrClFN/c1-10(11-2-5-14(17)6-3-11)19-9-12-8-13(16)4-7-15(12)18/h2-8,10,19H,9H2,1H3/t10-/m1/s1
InChIKeyVWTGLOXUNXXCON-SNVBAGLBSA-N
XLogP5.09
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.64
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(3-bromo-4-chlorophenyl)methyl]-N-(2-phenylethyl)piperidin-4-amine
CID 166629153
2-(5-Bromo-2-chlorophenyl)pyrrolidine
CID 3906446
[(5-Bromo-2-fluorophenyl)methyl](propan-2-yl)amine
CID 20116629
N-[(2-chlorophenyl)methyl]-1-(4-fluorophenyl)ethanamine
CID 43178076
(4-Chlorobenzyl)-(1-phenylethyl)amine
CID 2757412
(1S)-N-benzyl-1-(4-chlorophenyl)ethanamine
CID 28435486
N-benzyl-1-(4-chlorophenyl)ethanamine
CID 43177505
1-(2-Bromophenyl)-2-(2-chloro-6-fluorophenyl)ethan-1-amine
CID 54594869
N-[(4-chlorophenyl)methyl]-2-(2-fluorophenyl)ethanamine
CID 4718090
1-(4-bromophenyl)-N-[(3-fluorophenyl)methyl]ethanamine
CID 43085128
1-(4-bromophenyl)-N-[(2-fluorophenyl)methyl]ethanamine
CID 43178810
N-[1-(4-chlorophenyl)-2-fluoroethyl]propan-2-amine
CID 83821574

Frequently Asked Questions

What is the IUPAC name of (1R)-N-[(5-bromo-2-fluorophenyl)methyl]-1-(4-chlorophenyl)ethanamine?
The IUPAC name of (1R)-N-[(5-bromo-2-fluorophenyl)methyl]-1-(4-chlorophenyl)ethanamine (CID 28645128) is (1R)-N-[(5-bromo-2-fluorophenyl)methyl]-1-(4-chlorophenyl)ethanamine.
What is the SMILES notation for (1R)-N-[(5-bromo-2-fluorophenyl)methyl]-1-(4-chlorophenyl)ethanamine?
The canonical SMILES for (1R)-N-[(5-bromo-2-fluorophenyl)methyl]-1-(4-chlorophenyl)ethanamine is C[C@@H](NCc1cc(Br)ccc1F)c1ccc(Cl)cc1.
What is the InChIKey of (1R)-N-[(5-bromo-2-fluorophenyl)methyl]-1-(4-chlorophenyl)ethanamine?
The InChIKey is VWTGLOXUNXXCON-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H14BrClFN/c1-10(11-2-5-14(17)6-3-11)19-9-12-8-13(16)4-7-15(12)18/h2-8,10,19H,9H2,1H3/t10-/m1/s1.
What are the key properties of (1R)-N-[(5-bromo-2-fluorophenyl)methyl]-1-(4-chlorophenyl)ethanamine?
(1R)-N-[(5-bromo-2-fluorophenyl)methyl]-1-(4-chlorophenyl)ethanamine has a molecular weight of 342.64 g/mol, XLogP of 5.09, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-[(5-bromo-2-fluorophenyl)methyl]-1-(4-chlorophenyl)ethanamine is sourced from PubChem (CID 28645128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).