(1S,2S)-2-anilino-1-[4-(trifluoromethyl)phenyl]propan-1-ol

C16H16F3NO — CID 90683351

IUPAC(1S,2S)-2-anilino-1-[4-(trifluoromethyl)phenyl]propan-1-ol
SMILESC[C@H](Nc1ccccc1)[C@@H](O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H16F3NO/c1-11(20-14-5-3-2-4-6-14)15(21)12-7-9-13(10-8-12)16(17,18)19/h2-11,15,20-21H,1H3/t11-,15+/m0/s1
InChIKeyMUNWUBZDJIGOFD-XHDPSFHLSA-N
MW295.30 g/mol
LogP4.24
Rot. Bonds4

About (1S,2S)-2-anilino-1-[4-(trifluoromethyl)phenyl]propan-1-ol

(1S,2S)-2-anilino-1-[4-(trifluoromethyl)phenyl]propan-1-ol (PubChem CID 90683351) has the molecular formula C16H16F3NO and a molecular weight of 295.30 g/mol. Its IUPAC name is (1S,2S)-2-anilino-1-[4-(trifluoromethyl)phenyl]propan-1-ol.

Molecular Properties

Compound Name(1S,2S)-2-anilino-1-[4-(trifluoromethyl)phenyl]propan-1-ol
PubChem CID90683351
Molecular FormulaC16H16F3NO
Molecular Weight295.30 g/mol
Exact Mass295.12
IUPAC Name(1S,2S)-2-anilino-1-[4-(trifluoromethyl)phenyl]propan-1-ol
SMILESC[C@H](Nc1ccccc1)[C@@H](O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H16F3NO/c1-11(20-14-5-3-2-4-6-14)15(21)12-7-9-13(10-8-12)16(17,18)19/h2-11,15,20-21H,1H3/t11-,15+/m0/s1
InChIKeyMUNWUBZDJIGOFD-XHDPSFHLSA-N
XLogP4.24
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S,2S)-2-anilino-1-[4-(trifluoromethyl)phenyl]propan-1-ol?
The IUPAC name of (1S,2S)-2-anilino-1-[4-(trifluoromethyl)phenyl]propan-1-ol (CID 90683351) is (1S,2S)-2-anilino-1-[4-(trifluoromethyl)phenyl]propan-1-ol.
What is the SMILES notation for (1S,2S)-2-anilino-1-[4-(trifluoromethyl)phenyl]propan-1-ol?
The canonical SMILES for (1S,2S)-2-anilino-1-[4-(trifluoromethyl)phenyl]propan-1-ol is C[C@H](Nc1ccccc1)[C@@H](O)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of (1S,2S)-2-anilino-1-[4-(trifluoromethyl)phenyl]propan-1-ol?
The InChIKey is MUNWUBZDJIGOFD-XHDPSFHLSA-N. The full InChI is InChI=1S/C16H16F3NO/c1-11(20-14-5-3-2-4-6-14)15(21)12-7-9-13(10-8-12)16(17,18)19/h2-11,15,20-21H,1H3/t11-,15+/m0/s1.
What are the key properties of (1S,2S)-2-anilino-1-[4-(trifluoromethyl)phenyl]propan-1-ol?
(1S,2S)-2-anilino-1-[4-(trifluoromethyl)phenyl]propan-1-ol has a molecular weight of 295.30 g/mol, XLogP of 4.24, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S)-2-anilino-1-[4-(trifluoromethyl)phenyl]propan-1-ol is sourced from PubChem (CID 90683351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).