2-phenyl-2-[(2,4,5-trifluorophenyl)methylamino]propan-1-ol

C16H16F3NO — CID 103793108

IUPAC2-phenyl-2-[(2,4,5-trifluorophenyl)methylamino]propan-1-ol
SMILESCC(CO)(NCc1cc(F)c(F)cc1F)c1ccccc1
InChIInChI=1S/C16H16F3NO/c1-16(10-21,12-5-3-2-4-6-12)20-9-11-7-14(18)15(19)8-13(11)17/h2-8,20-21H,9-10H2,1H3
InChIKeyRMUIZJRGULBDBA-UHFFFAOYSA-N
MW295.30 g/mol
LogP3.10
Rot. Bonds5

About 2-phenyl-2-[(2,4,5-trifluorophenyl)methylamino]propan-1-ol

2-phenyl-2-[(2,4,5-trifluorophenyl)methylamino]propan-1-ol (PubChem CID 103793108) has the molecular formula C16H16F3NO and a molecular weight of 295.30 g/mol. Its IUPAC name is 2-phenyl-2-[(2,4,5-trifluorophenyl)methylamino]propan-1-ol.

Molecular Properties

Compound Name2-phenyl-2-[(2,4,5-trifluorophenyl)methylamino]propan-1-ol
PubChem CID103793108
Molecular FormulaC16H16F3NO
Molecular Weight295.30 g/mol
Exact Mass295.12
IUPAC Name2-phenyl-2-[(2,4,5-trifluorophenyl)methylamino]propan-1-ol
SMILESCC(CO)(NCc1cc(F)c(F)cc1F)c1ccccc1
InChIInChI=1S/C16H16F3NO/c1-16(10-21,12-5-3-2-4-6-12)20-9-11-7-14(18)15(19)8-13(11)17/h2-8,20-21H,9-10H2,1H3
InChIKeyRMUIZJRGULBDBA-UHFFFAOYSA-N
XLogP3.10
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

3-fluoro-4-[[(1-hydroxy-2-phenylpropan-2-yl)amino]methyl]benzonitrile
CID 115619640
2-[(2-ethylphenyl)methylamino]-2-phenylpropan-1-ol
CID 105057863
4-fluoro-2-[[(1-hydroxy-2-phenylpropan-2-yl)amino]methyl]benzonitrile
CID 103760771
2-[(3-bromo-2,6-difluorophenyl)methylamino]-2-phenylpropan-1-ol
CID 106263794
2-(2-hydroxyethylamino)-2-phenylpropan-1-ol
CID 115674879
2-ethyl-2-[(2,4,5-trifluorophenyl)methylamino]propane-1,3-diol
CID 113344545
2-[(1-tert-butyltriazol-4-yl)methylamino]-2-phenylpropan-1-ol
CID 103399455
2-[(3-cyclopropylphenyl)methylamino]-2-phenylpropan-1-ol
CID 105057814
2-phenyl-2-(pyrimidin-5-ylmethylamino)propan-1-ol
CID 115630532
(2R)-2-(methylamino)-2-phenylpropan-1-ol
CID 93471124
2-(benzylamino)-2-(4-methylphenyl)propan-1-ol
CID 61045814
2-bromo-4-[[(1-hydroxy-2-phenylpropan-2-yl)amino]methyl]phenol
CID 105057826

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-2-[(2,4,5-trifluorophenyl)methylamino]propan-1-ol?
The IUPAC name of 2-phenyl-2-[(2,4,5-trifluorophenyl)methylamino]propan-1-ol (CID 103793108) is 2-phenyl-2-[(2,4,5-trifluorophenyl)methylamino]propan-1-ol.
What is the SMILES notation for 2-phenyl-2-[(2,4,5-trifluorophenyl)methylamino]propan-1-ol?
The canonical SMILES for 2-phenyl-2-[(2,4,5-trifluorophenyl)methylamino]propan-1-ol is CC(CO)(NCc1cc(F)c(F)cc1F)c1ccccc1.
What is the InChIKey of 2-phenyl-2-[(2,4,5-trifluorophenyl)methylamino]propan-1-ol?
The InChIKey is RMUIZJRGULBDBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3NO/c1-16(10-21,12-5-3-2-4-6-12)20-9-11-7-14(18)15(19)8-13(11)17/h2-8,20-21H,9-10H2,1H3.
What are the key properties of 2-phenyl-2-[(2,4,5-trifluorophenyl)methylamino]propan-1-ol?
2-phenyl-2-[(2,4,5-trifluorophenyl)methylamino]propan-1-ol has a molecular weight of 295.30 g/mol, XLogP of 3.10, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-2-[(2,4,5-trifluorophenyl)methylamino]propan-1-ol is sourced from PubChem (CID 103793108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).