2-methyl-2-[(3,4,5-trifluorophenyl)methylamino]propan-1-ol

C11H14F3NO — CID 63050676

IUPAC2-methyl-2-[(3,4,5-trifluorophenyl)methylamino]propan-1-ol
SMILESCC(C)(CO)NCc1cc(F)c(F)c(F)c1
InChIInChI=1S/C11H14F3NO/c1-11(2,6-16)15-5-7-3-8(12)10(14)9(13)4-7/h3-4,15-16H,5-6H2,1-2H3
InChIKeySEGSVOZPFZXLRA-UHFFFAOYSA-N
MW233.23 g/mol
LogP1.96
Rot. Bonds4

About 2-methyl-2-[(3,4,5-trifluorophenyl)methylamino]propan-1-ol

2-methyl-2-[(3,4,5-trifluorophenyl)methylamino]propan-1-ol (PubChem CID 63050676) has the molecular formula C11H14F3NO and a molecular weight of 233.23 g/mol. Its IUPAC name is 2-methyl-2-[(3,4,5-trifluorophenyl)methylamino]propan-1-ol.

Molecular Properties

Compound Name2-methyl-2-[(3,4,5-trifluorophenyl)methylamino]propan-1-ol
PubChem CID63050676
Molecular FormulaC11H14F3NO
Molecular Weight233.23 g/mol
Exact Mass233.10
IUPAC Name2-methyl-2-[(3,4,5-trifluorophenyl)methylamino]propan-1-ol
SMILESCC(C)(CO)NCc1cc(F)c(F)c(F)c1
InChIInChI=1S/C11H14F3NO/c1-11(2,6-16)15-5-7-3-8(12)10(14)9(13)4-7/h3-4,15-16H,5-6H2,1-2H3
InChIKeySEGSVOZPFZXLRA-UHFFFAOYSA-N
XLogP1.96
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.23
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

2-methyl-N-[(3,4,5-trifluorophenyl)methyl]propan-2-amine
CID 63051342
2-[(3-chloro-4-fluorophenyl)methylamino]-2-methylpropan-1-ol
CID 75355894
2-cyclopropyl-N-[(3,4,5-trifluorophenyl)methyl]propan-2-amine
CID 103700221
2-[(4-methoxy-3,5-dimethylphenyl)methylamino]-2-methylpropan-1-ol
CID 111112626
3-[(4-bromo-3-fluorophenyl)methylamino]-3-methylbutan-1-ol
CID 115702691
2,6-difluoro-4-[[(1-hydroxy-2-methylbutan-2-yl)amino]methyl]phenol
CID 79832225
4-[[(1-hydroxy-2-methylpropan-2-yl)amino]methyl]benzene-1,2-diol
CID 28724969
2-[(5-bromo-2-fluorophenyl)methylamino]-2-methylpropan-1-ol
CID 28724862
2-[(3,5-difluoro-4-hydroxyphenyl)methylamino]-2-(hydroxymethyl)propane-1,3-diol
CID 107850693
3-[[(1-hydroxy-2-methylpropan-2-yl)amino]methyl]phenol
CID 28725427
2-[(3-bromophenyl)methylamino]-2-methylpropan-1-ol
CID 4715466
(2S)-2-[(3,4,5-trifluorophenyl)methylamino]propan-1-ol
CID 94999639

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[(3,4,5-trifluorophenyl)methylamino]propan-1-ol?
The IUPAC name of 2-methyl-2-[(3,4,5-trifluorophenyl)methylamino]propan-1-ol (CID 63050676) is 2-methyl-2-[(3,4,5-trifluorophenyl)methylamino]propan-1-ol.
What is the SMILES notation for 2-methyl-2-[(3,4,5-trifluorophenyl)methylamino]propan-1-ol?
The canonical SMILES for 2-methyl-2-[(3,4,5-trifluorophenyl)methylamino]propan-1-ol is CC(C)(CO)NCc1cc(F)c(F)c(F)c1.
What is the InChIKey of 2-methyl-2-[(3,4,5-trifluorophenyl)methylamino]propan-1-ol?
The InChIKey is SEGSVOZPFZXLRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3NO/c1-11(2,6-16)15-5-7-3-8(12)10(14)9(13)4-7/h3-4,15-16H,5-6H2,1-2H3.
What are the key properties of 2-methyl-2-[(3,4,5-trifluorophenyl)methylamino]propan-1-ol?
2-methyl-2-[(3,4,5-trifluorophenyl)methylamino]propan-1-ol has a molecular weight of 233.23 g/mol, XLogP of 1.96, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[(3,4,5-trifluorophenyl)methylamino]propan-1-ol is sourced from PubChem (CID 63050676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).