(1S)-1-(4-bromophenyl)-2,2,2-trifluoro-1-(4-methylphenyl)ethanamine

C15H13BrF3N — CID 149282079

IUPAC(1S)-1-(4-bromophenyl)-2,2,2-trifluoro-1-(4-methylphenyl)ethanamine
SMILESCc1ccc([C@](N)(c2ccc(Br)cc2)C(F)(F)F)cc1
InChIInChI=1S/C15H13BrF3N/c1-10-2-4-11(5-3-10)14(20,15(17,18)19)12-6-8-13(16)9-7-12/h2-9H,20H2,1H3/t14-/m0/s1
InChIKeyXTDOKYGZTPEZEK-AWEZNQCLSA-N
MW344.17 g/mol
LogP4.52
Rot. Bonds2

About (1S)-1-(4-bromophenyl)-2,2,2-trifluoro-1-(4-methylphenyl)ethanamine

(1S)-1-(4-bromophenyl)-2,2,2-trifluoro-1-(4-methylphenyl)ethanamine (PubChem CID 149282079) has the molecular formula C15H13BrF3N and a molecular weight of 344.17 g/mol. Its IUPAC name is (1S)-1-(4-bromophenyl)-2,2,2-trifluoro-1-(4-methylphenyl)ethanamine.

Molecular Properties

Compound Name(1S)-1-(4-bromophenyl)-2,2,2-trifluoro-1-(4-methylphenyl)ethanamine
PubChem CID149282079
Molecular FormulaC15H13BrF3N
Molecular Weight344.17 g/mol
Exact Mass343.02
IUPAC Name(1S)-1-(4-bromophenyl)-2,2,2-trifluoro-1-(4-methylphenyl)ethanamine
SMILESCc1ccc([C@](N)(c2ccc(Br)cc2)C(F)(F)F)cc1
InChIInChI=1S/C15H13BrF3N/c1-10-2-4-11(5-3-10)14(20,15(17,18)19)12-6-8-13(16)9-7-12/h2-9H,20H2,1H3/t14-/m0/s1
InChIKeyXTDOKYGZTPEZEK-AWEZNQCLSA-N
XLogP4.52
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.17
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-Bromophenyl)propan-2-amine
CID 23009116
1-(4-Bromophenyl)cyclopropanamine
CID 18710195
trans-(1S,2R)-2-(4-bromophenyl)-1-phenylcyclopropan-1-amine;hydrochloride
CID 118732672
(R)-1-(4-bromophenyl)-2-(2,5-difluorophenyl)ethanamine
CID 44561008
[(1S)-1-(4-bromophenyl)-2,2,2-trifluoroethyl]azanium;chloride
CID 135056688
(4-Bromophenyl)(phenyl)methanamine hydrochloride
CID 21528791
2-(4-Bromophenyl)propan-2-amine hydrochloride
CID 42956122
1-(4-Bromophenyl)cyclobutan-1-amine
CID 43146557
2-(4-Bromo-2-fluorophenyl)propan-2-amine hydrochloride
CID 58764180
(2R)-2-(4-bromophenyl)-N-diphenylphosphoryl-1,1,1-trifluoropropan-2-amine
CID 11612455
2-(2-Bromo-6-fluorophenyl)propan-2-amine
CID 83403201
(2R)-2-(4-bromophenyl)-N-diphenylphosphoryl-1,1,1-trifluorobutan-2-amine
CID 102386712

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(4-bromophenyl)-2,2,2-trifluoro-1-(4-methylphenyl)ethanamine?
The IUPAC name of (1S)-1-(4-bromophenyl)-2,2,2-trifluoro-1-(4-methylphenyl)ethanamine (CID 149282079) is (1S)-1-(4-bromophenyl)-2,2,2-trifluoro-1-(4-methylphenyl)ethanamine.
What is the SMILES notation for (1S)-1-(4-bromophenyl)-2,2,2-trifluoro-1-(4-methylphenyl)ethanamine?
The canonical SMILES for (1S)-1-(4-bromophenyl)-2,2,2-trifluoro-1-(4-methylphenyl)ethanamine is Cc1ccc([C@](N)(c2ccc(Br)cc2)C(F)(F)F)cc1.
What is the InChIKey of (1S)-1-(4-bromophenyl)-2,2,2-trifluoro-1-(4-methylphenyl)ethanamine?
The InChIKey is XTDOKYGZTPEZEK-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H13BrF3N/c1-10-2-4-11(5-3-10)14(20,15(17,18)19)12-6-8-13(16)9-7-12/h2-9H,20H2,1H3/t14-/m0/s1.
What are the key properties of (1S)-1-(4-bromophenyl)-2,2,2-trifluoro-1-(4-methylphenyl)ethanamine?
(1S)-1-(4-bromophenyl)-2,2,2-trifluoro-1-(4-methylphenyl)ethanamine has a molecular weight of 344.17 g/mol, XLogP of 4.52, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(4-bromophenyl)-2,2,2-trifluoro-1-(4-methylphenyl)ethanamine is sourced from PubChem (CID 149282079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).