(1S)-1-(4-bromophenyl)-2,2,2-trifluoro-1-phenylethanamine

C14H11BrF3N — CID 149413302

IUPAC(1S)-1-(4-bromophenyl)-2,2,2-trifluoro-1-phenylethanamine
SMILESN[C@@](c1ccccc1)(c1ccc(Br)cc1)C(F)(F)F
InChIInChI=1S/C14H11BrF3N/c15-12-8-6-11(7-9-12)13(19,14(16,17)18)10-4-2-1-3-5-10/h1-9H,19H2/t13-/m0/s1
InChIKeyYRRJJZUTJIJQGZ-ZDUSSCGKSA-N
MW330.15 g/mol
LogP4.21
Rot. Bonds2

About (1S)-1-(4-bromophenyl)-2,2,2-trifluoro-1-phenylethanamine

(1S)-1-(4-bromophenyl)-2,2,2-trifluoro-1-phenylethanamine (PubChem CID 149413302) has the molecular formula C14H11BrF3N and a molecular weight of 330.15 g/mol. Its IUPAC name is (1S)-1-(4-bromophenyl)-2,2,2-trifluoro-1-phenylethanamine.

Molecular Properties

Compound Name(1S)-1-(4-bromophenyl)-2,2,2-trifluoro-1-phenylethanamine
PubChem CID149413302
Molecular FormulaC14H11BrF3N
Molecular Weight330.15 g/mol
Exact Mass329.00
IUPAC Name(1S)-1-(4-bromophenyl)-2,2,2-trifluoro-1-phenylethanamine
SMILESN[C@@](c1ccccc1)(c1ccc(Br)cc1)C(F)(F)F
InChIInChI=1S/C14H11BrF3N/c15-12-8-6-11(7-9-12)13(19,14(16,17)18)10-4-2-1-3-5-10/h1-9H,19H2/t13-/m0/s1
InChIKeyYRRJJZUTJIJQGZ-ZDUSSCGKSA-N
XLogP4.21
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.15
LogP ≤ 54.21
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
2-(2-Bromophenyl)propan-2-amine
CID 11195239
[(1S)-1-(4-bromophenyl)-2,2,2-trifluoroethyl]azanium;chloride
CID 135056688
1-(4-Bromophenyl)-2,2-difluoroethan-1-amine hcl
CID 135057267
1-(4-Bromophenyl)-2,2,2-trifluoroethanamine
CID 12164740
(4-Bromophenyl)(phenyl)methanamine hydrochloride
CID 21528791
2-(4-Bromophenyl)propan-2-amine hydrochloride
CID 42956122
1-(4-Bromophenyl)cyclopentan-1-amine hydrochloride
CID 42959175
1-(4-Bromophenyl)cyclobutan-1-amine
CID 43146557

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(4-bromophenyl)-2,2,2-trifluoro-1-phenylethanamine?
The IUPAC name of (1S)-1-(4-bromophenyl)-2,2,2-trifluoro-1-phenylethanamine (CID 149413302) is (1S)-1-(4-bromophenyl)-2,2,2-trifluoro-1-phenylethanamine.
What is the SMILES notation for (1S)-1-(4-bromophenyl)-2,2,2-trifluoro-1-phenylethanamine?
The canonical SMILES for (1S)-1-(4-bromophenyl)-2,2,2-trifluoro-1-phenylethanamine is N[C@@](c1ccccc1)(c1ccc(Br)cc1)C(F)(F)F.
What is the InChIKey of (1S)-1-(4-bromophenyl)-2,2,2-trifluoro-1-phenylethanamine?
The InChIKey is YRRJJZUTJIJQGZ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H11BrF3N/c15-12-8-6-11(7-9-12)13(19,14(16,17)18)10-4-2-1-3-5-10/h1-9H,19H2/t13-/m0/s1.
What are the key properties of (1S)-1-(4-bromophenyl)-2,2,2-trifluoro-1-phenylethanamine?
(1S)-1-(4-bromophenyl)-2,2,2-trifluoro-1-phenylethanamine has a molecular weight of 330.15 g/mol, XLogP of 4.21, 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-phenylethanamine is sourced from PubChem (CID 149413302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).