(1S)-1-(4-benzylphenyl)-2,2,2-trifluoroethanamine

C15H14F3N — CID 66512282

IUPAC(1S)-1-(4-benzylphenyl)-2,2,2-trifluoroethanamine
SMILESN[C@@H](c1ccc(Cc2ccccc2)cc1)C(F)(F)F
InChIInChI=1S/C15H14F3N/c16-15(17,18)14(19)13-8-6-12(7-9-13)10-11-4-2-1-3-5-11/h1-9,14H,10,19H2/t14-/m0/s1
InChIKeyROLIVWKCDFLXIS-AWEZNQCLSA-N
MW265.28 g/mol
LogP3.84
Rot. Bonds3

About (1S)-1-(4-benzylphenyl)-2,2,2-trifluoroethanamine

(1S)-1-(4-benzylphenyl)-2,2,2-trifluoroethanamine (PubChem CID 66512282) has the molecular formula C15H14F3N and a molecular weight of 265.28 g/mol. Its IUPAC name is (1S)-1-(4-benzylphenyl)-2,2,2-trifluoroethanamine.

Molecular Properties

Compound Name(1S)-1-(4-benzylphenyl)-2,2,2-trifluoroethanamine
PubChem CID66512282
Molecular FormulaC15H14F3N
Molecular Weight265.28 g/mol
Exact Mass265.11
IUPAC Name(1S)-1-(4-benzylphenyl)-2,2,2-trifluoroethanamine
SMILESN[C@@H](c1ccc(Cc2ccccc2)cc1)C(F)(F)F
InChIInChI=1S/C15H14F3N/c16-15(17,18)14(19)13-8-6-12(7-9-13)10-11-4-2-1-3-5-11/h1-9,14H,10,19H2/t14-/m0/s1
InChIKeyROLIVWKCDFLXIS-AWEZNQCLSA-N
XLogP3.84
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.28
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[4-[(1S)-1-amino-2,2,2-trifluoroethyl]phenyl]methanol
CID 66510878
1-(4-benzylphenyl)ethanamine
CID 3962419
(1S)-1-(4-benzylphenyl)propan-1-amine
CID 79018348
1,4-bis(4-benzylphenyl)benzene
CID 58251041
1-benzyl-4-(2,2,2-trifluoroethyl)benzene
CID 172715361
(1S)-2,2,2-trifluoro-1-(4-methylphenyl)ethanamine
CID 56971822
phenyl(113C)methylbenzene
CID 11194569
4-(1-amino-2,2,2-trifluoroethyl)phenol;hydrochloride
CID 138107889
(1R)-2,2,2-trifluoro-1-(4-methoxy-3-phenylmethoxyphenyl)ethanamine
CID 66512512
2,2,3,3,3-pentafluoro-1-(4-phenylphenyl)propan-1-amine
CID 43248519
(1S)-1-(3-ethoxy-4-phenylmethoxyphenyl)-2,2,2-trifluoroethanamine
CID 66512660
1-benzyl-4-[(4-benzylphenyl)methyl]benzene;1,4-dibenzylbenzene;ethane
CID 158067654

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(4-benzylphenyl)-2,2,2-trifluoroethanamine?
The IUPAC name of (1S)-1-(4-benzylphenyl)-2,2,2-trifluoroethanamine (CID 66512282) is (1S)-1-(4-benzylphenyl)-2,2,2-trifluoroethanamine.
What is the SMILES notation for (1S)-1-(4-benzylphenyl)-2,2,2-trifluoroethanamine?
The canonical SMILES for (1S)-1-(4-benzylphenyl)-2,2,2-trifluoroethanamine is N[C@@H](c1ccc(Cc2ccccc2)cc1)C(F)(F)F.
What is the InChIKey of (1S)-1-(4-benzylphenyl)-2,2,2-trifluoroethanamine?
The InChIKey is ROLIVWKCDFLXIS-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H14F3N/c16-15(17,18)14(19)13-8-6-12(7-9-13)10-11-4-2-1-3-5-11/h1-9,14H,10,19H2/t14-/m0/s1.
What are the key properties of (1S)-1-(4-benzylphenyl)-2,2,2-trifluoroethanamine?
(1S)-1-(4-benzylphenyl)-2,2,2-trifluoroethanamine has a molecular weight of 265.28 g/mol, XLogP of 3.84, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(4-benzylphenyl)-2,2,2-trifluoroethanamine is sourced from PubChem (CID 66512282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).