2-amino-3-phenyl-1-[3-(trifluoromethyl)phenyl]propan-1-ol

C16H16F3NO — CID 62720952

IUPAC2-amino-3-phenyl-1-[3-(trifluoromethyl)phenyl]propan-1-ol
SMILESNC(Cc1ccccc1)C(O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H16F3NO/c17-16(18,19)13-8-4-7-12(10-13)15(21)14(20)9-11-5-2-1-3-6-11/h1-8,10,14-15,21H,9,20H2
InChIKeyBAVGSQQBYWDWEM-UHFFFAOYSA-N
MW295.30 g/mol
LogP3.31
Rot. Bonds4

About 2-amino-3-phenyl-1-[3-(trifluoromethyl)phenyl]propan-1-ol

2-amino-3-phenyl-1-[3-(trifluoromethyl)phenyl]propan-1-ol (PubChem CID 62720952) has the molecular formula C16H16F3NO and a molecular weight of 295.30 g/mol. Its IUPAC name is 2-amino-3-phenyl-1-[3-(trifluoromethyl)phenyl]propan-1-ol.

Molecular Properties

Compound Name2-amino-3-phenyl-1-[3-(trifluoromethyl)phenyl]propan-1-ol
PubChem CID62720952
Molecular FormulaC16H16F3NO
Molecular Weight295.30 g/mol
Exact Mass295.12
IUPAC Name2-amino-3-phenyl-1-[3-(trifluoromethyl)phenyl]propan-1-ol
SMILESNC(Cc1ccccc1)C(O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H16F3NO/c17-16(18,19)13-8-4-7-12(10-13)15(21)14(20)9-11-5-2-1-3-6-11/h1-8,10,14-15,21H,9,20H2
InChIKeyBAVGSQQBYWDWEM-UHFFFAOYSA-N
XLogP3.31
TPSA46.25 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 ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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(2S,3R)-3-amino-2-hydroxy-N-[2-(methanesulfonamido)-2-oxo-1-[3-(trifluoromethyl)phenyl]ethyl]-4-phenylbutanamide
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3-bromo-1-[3-(trifluoromethyl)phenyl]propane-1,2-diol
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2-amino-3-(4-fluorophenyl)-1-[4-(trifluoromethyl)phenyl]propan-1-ol
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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-phenyl-1-[3-(trifluoromethyl)phenyl]propan-1-ol?
The IUPAC name of 2-amino-3-phenyl-1-[3-(trifluoromethyl)phenyl]propan-1-ol (CID 62720952) is 2-amino-3-phenyl-1-[3-(trifluoromethyl)phenyl]propan-1-ol.
What is the SMILES notation for 2-amino-3-phenyl-1-[3-(trifluoromethyl)phenyl]propan-1-ol?
The canonical SMILES for 2-amino-3-phenyl-1-[3-(trifluoromethyl)phenyl]propan-1-ol is NC(Cc1ccccc1)C(O)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-amino-3-phenyl-1-[3-(trifluoromethyl)phenyl]propan-1-ol?
The InChIKey is BAVGSQQBYWDWEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3NO/c17-16(18,19)13-8-4-7-12(10-13)15(21)14(20)9-11-5-2-1-3-6-11/h1-8,10,14-15,21H,9,20H2.
What are the key properties of 2-amino-3-phenyl-1-[3-(trifluoromethyl)phenyl]propan-1-ol?
2-amino-3-phenyl-1-[3-(trifluoromethyl)phenyl]propan-1-ol has a molecular weight of 295.30 g/mol, XLogP of 3.31, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-phenyl-1-[3-(trifluoromethyl)phenyl]propan-1-ol is sourced from PubChem (CID 62720952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).