N-[(1R)-1-(2-bromophenyl)ethyl]-2,2,2-trifluoro-1-phenylethanamine

C16H15BrF3N — CID 81379499

IUPACN-[(1R)-1-(2-bromophenyl)ethyl]-2,2,2-trifluoro-1-phenylethanamine
SMILESC[C@@H](NC(c1ccccc1)C(F)(F)F)c1ccccc1Br
InChIInChI=1S/C16H15BrF3N/c1-11(13-9-5-6-10-14(13)17)21-15(16(18,19)20)12-7-3-2-4-8-12/h2-11,15,21H,1H3/t11-,15?/m1/s1
InChIKeyANXVQXHGRPMDOF-ZRKZCGFPSA-N
MW358.20 g/mol
LogP5.40
Rot. Bonds4

About N-[(1R)-1-(2-bromophenyl)ethyl]-2,2,2-trifluoro-1-phenylethanamine

N-[(1R)-1-(2-bromophenyl)ethyl]-2,2,2-trifluoro-1-phenylethanamine (PubChem CID 81379499) has the molecular formula C16H15BrF3N and a molecular weight of 358.20 g/mol. Its IUPAC name is N-[(1R)-1-(2-bromophenyl)ethyl]-2,2,2-trifluoro-1-phenylethanamine.

Molecular Properties

Compound NameN-[(1R)-1-(2-bromophenyl)ethyl]-2,2,2-trifluoro-1-phenylethanamine
PubChem CID81379499
Molecular FormulaC16H15BrF3N
Molecular Weight358.20 g/mol
Exact Mass357.03
IUPAC NameN-[(1R)-1-(2-bromophenyl)ethyl]-2,2,2-trifluoro-1-phenylethanamine
SMILESC[C@@H](NC(c1ccccc1)C(F)(F)F)c1ccccc1Br
InChIInChI=1S/C16H15BrF3N/c1-11(13-9-5-6-10-14(13)17)21-15(16(18,19)20)12-7-3-2-4-8-12/h2-11,15,21H,1H3/t11-,15?/m1/s1
InChIKeyANXVQXHGRPMDOF-ZRKZCGFPSA-N
XLogP5.40
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.20
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,2,2-trifluoro-N-[(1R)-1-(2-methylphenyl)ethyl]-1-phenylethanamine
CID 81364335
N-[(1R)-1-(2-bromophenyl)ethyl]-2-methyl-1-phenylpropan-1-amine
CID 81383697
N-[(1S)-1-(2-bromophenyl)ethyl]-2-methyl-1-phenylpropan-1-amine
CID 81383104
2,2,2-trifluoro-N-[(1R)-1-(4-methylphenyl)ethyl]-1-phenylethanamine
CID 81348788
(1R)-N-[1-(2-bromophenyl)ethyl]-1-(2-fluorophenyl)ethanamine
CID 81379784
(1S)-N-[1-(2-bromophenyl)ethyl]-1-(4-fluorophenyl)ethanamine
CID 81347768
(1R)-1-(2-bromophenyl)-N-[cyclopropyl(phenyl)methyl]ethanamine
CID 81378467
N-[1-(2-bromophenyl)ethyl]-3-methylbutan-2-amine
CID 43131330
N-[(1R)-1-(2-bromophenyl)ethyl]-1-(2-methylphenyl)ethanamine
CID 81378592
N-[(1S)-1-(2-bromophenyl)ethyl]-1-(2-methylphenyl)ethanamine
CID 81382927
N-[(1R)-1-(2-bromophenyl)ethyl]-1-(3-methylphenyl)ethanamine
CID 81378602
(1S)-1-(2-bromophenyl)-N-methylethanamine
CID 30122083

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(2-bromophenyl)ethyl]-2,2,2-trifluoro-1-phenylethanamine?
The IUPAC name of N-[(1R)-1-(2-bromophenyl)ethyl]-2,2,2-trifluoro-1-phenylethanamine (CID 81379499) is N-[(1R)-1-(2-bromophenyl)ethyl]-2,2,2-trifluoro-1-phenylethanamine.
What is the SMILES notation for N-[(1R)-1-(2-bromophenyl)ethyl]-2,2,2-trifluoro-1-phenylethanamine?
The canonical SMILES for N-[(1R)-1-(2-bromophenyl)ethyl]-2,2,2-trifluoro-1-phenylethanamine is C[C@@H](NC(c1ccccc1)C(F)(F)F)c1ccccc1Br.
What is the InChIKey of N-[(1R)-1-(2-bromophenyl)ethyl]-2,2,2-trifluoro-1-phenylethanamine?
The InChIKey is ANXVQXHGRPMDOF-ZRKZCGFPSA-N. The full InChI is InChI=1S/C16H15BrF3N/c1-11(13-9-5-6-10-14(13)17)21-15(16(18,19)20)12-7-3-2-4-8-12/h2-11,15,21H,1H3/t11-,15?/m1/s1.
What are the key properties of N-[(1R)-1-(2-bromophenyl)ethyl]-2,2,2-trifluoro-1-phenylethanamine?
N-[(1R)-1-(2-bromophenyl)ethyl]-2,2,2-trifluoro-1-phenylethanamine has a molecular weight of 358.20 g/mol, XLogP of 5.40, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(2-bromophenyl)ethyl]-2,2,2-trifluoro-1-phenylethanamine is sourced from PubChem (CID 81379499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).