1-(dimethylamino)-2-methyl-3-[2-(trifluoromethyl)anilino]propan-2-ol

C13H19F3N2O — CID 106145464

IUPAC1-(dimethylamino)-2-methyl-3-[2-(trifluoromethyl)anilino]propan-2-ol
SMILESCN(C)CC(C)(O)CNc1ccccc1C(F)(F)F
InChIInChI=1S/C13H19F3N2O/c1-12(19,9-18(2)3)8-17-11-7-5-4-6-10(11)13(14,15)16/h4-7,17,19H,8-9H2,1-3H3
InChIKeyFYCWTVCVANJROZ-UHFFFAOYSA-N
MW276.30 g/mol
LogP2.43
Rot. Bonds5

About 1-(dimethylamino)-2-methyl-3-[2-(trifluoromethyl)anilino]propan-2-ol

1-(dimethylamino)-2-methyl-3-[2-(trifluoromethyl)anilino]propan-2-ol (PubChem CID 106145464) has the molecular formula C13H19F3N2O and a molecular weight of 276.30 g/mol. Its IUPAC name is 1-(dimethylamino)-2-methyl-3-[2-(trifluoromethyl)anilino]propan-2-ol.

Molecular Properties

Compound Name1-(dimethylamino)-2-methyl-3-[2-(trifluoromethyl)anilino]propan-2-ol
PubChem CID106145464
Molecular FormulaC13H19F3N2O
Molecular Weight276.30 g/mol
Exact Mass276.14
IUPAC Name1-(dimethylamino)-2-methyl-3-[2-(trifluoromethyl)anilino]propan-2-ol
SMILESCN(C)CC(C)(O)CNc1ccccc1C(F)(F)F
InChIInChI=1S/C13H19F3N2O/c1-12(19,9-18(2)3)8-17-11-7-5-4-6-10(11)13(14,15)16/h4-7,17,19H,8-9H2,1-3H3
InChIKeyFYCWTVCVANJROZ-UHFFFAOYSA-N
XLogP2.43
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-dimethyl-3-[2-(trifluoromethyl)anilino]propanoic acid
CID 79629024
2-N,2-N-dimethyl-1-N-[2-(trifluoromethyl)phenyl]propane-1,2-diamine
CID 62315286
N-[2-[[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]methyl]phenyl]acetamide
CID 103838945
1-(dimethylamino)-2-methyl-3-(2,3,4,5,6-pentafluoroanilino)propan-2-ol
CID 106145626
2-chloro-6-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]benzonitrile
CID 106145676
2-(dimethylamino)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 21383101
1-(dimethylamino)-3-[(3-fluoro-2-pyridinyl)amino]-2-methylpropan-2-ol
CID 103837833
1-[[5-amino-2-(trifluoromethyl)-4-pyridinyl]amino]-3-(dimethylamino)-2-methylpropan-2-ol
CID 106141985
1-[2-(trifluoromethyl)anilino]butan-2-ol
CID 60887085
(E)-4-[2-(trifluoromethyl)anilino]but-2-en-1-ol
CID 115038099
3-ethyl-1-[2-(trifluoromethyl)anilino]pentan-2-ol
CID 106287816
N-(5-chloro-2,2-dimethylpentyl)-2-(trifluoromethyl)aniline
CID 114149158

Frequently Asked Questions

What is the IUPAC name of 1-(dimethylamino)-2-methyl-3-[2-(trifluoromethyl)anilino]propan-2-ol?
The IUPAC name of 1-(dimethylamino)-2-methyl-3-[2-(trifluoromethyl)anilino]propan-2-ol (CID 106145464) is 1-(dimethylamino)-2-methyl-3-[2-(trifluoromethyl)anilino]propan-2-ol.
What is the SMILES notation for 1-(dimethylamino)-2-methyl-3-[2-(trifluoromethyl)anilino]propan-2-ol?
The canonical SMILES for 1-(dimethylamino)-2-methyl-3-[2-(trifluoromethyl)anilino]propan-2-ol is CN(C)CC(C)(O)CNc1ccccc1C(F)(F)F.
What is the InChIKey of 1-(dimethylamino)-2-methyl-3-[2-(trifluoromethyl)anilino]propan-2-ol?
The InChIKey is FYCWTVCVANJROZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N2O/c1-12(19,9-18(2)3)8-17-11-7-5-4-6-10(11)13(14,15)16/h4-7,17,19H,8-9H2,1-3H3.
What are the key properties of 1-(dimethylamino)-2-methyl-3-[2-(trifluoromethyl)anilino]propan-2-ol?
1-(dimethylamino)-2-methyl-3-[2-(trifluoromethyl)anilino]propan-2-ol has a molecular weight of 276.30 g/mol, XLogP of 2.43, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylamino)-2-methyl-3-[2-(trifluoromethyl)anilino]propan-2-ol is sourced from PubChem (CID 106145464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).