3,3,3-trifluoro-2-methyl-2-(2-methylanilino)propan-1-ol

C11H14F3NO — CID 106523413

IUPAC3,3,3-trifluoro-2-methyl-2-(2-methylanilino)propan-1-ol
SMILESCc1ccccc1NC(C)(CO)C(F)(F)F
InChIInChI=1S/C11H14F3NO/c1-8-5-3-4-6-9(8)15-10(2,7-16)11(12,13)14/h3-6,15-16H,7H2,1-2H3
InChIKeyYLWBUACHVFVOOR-UHFFFAOYSA-N
MW233.23 g/mol
LogP2.72
Rot. Bonds3

About 3,3,3-trifluoro-2-methyl-2-(2-methylanilino)propan-1-ol

3,3,3-trifluoro-2-methyl-2-(2-methylanilino)propan-1-ol (PubChem CID 106523413) has the molecular formula C11H14F3NO and a molecular weight of 233.23 g/mol. Its IUPAC name is 3,3,3-trifluoro-2-methyl-2-(2-methylanilino)propan-1-ol.

Molecular Properties

Compound Name3,3,3-trifluoro-2-methyl-2-(2-methylanilino)propan-1-ol
PubChem CID106523413
Molecular FormulaC11H14F3NO
Molecular Weight233.23 g/mol
Exact Mass233.10
IUPAC Name3,3,3-trifluoro-2-methyl-2-(2-methylanilino)propan-1-ol
SMILESCc1ccccc1NC(C)(CO)C(F)(F)F
InChIInChI=1S/C11H14F3NO/c1-8-5-3-4-6-9(8)15-10(2,7-16)11(12,13)14/h3-6,15-16H,7H2,1-2H3
InChIKeyYLWBUACHVFVOOR-UHFFFAOYSA-N
XLogP2.72
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.23
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-2-(2-methylanilino)propane-1,3-diol
CID 130509283
2-methyl-2-(2-methylanilino)propan-1-ol
CID 61045872
3-(3-fluorophenyl)-2-methyl-2-(2-methylanilino)propan-1-ol
CID 114834179
2-[4-(dimethylamino)phenyl]-2-(2-methylanilino)propan-1-ol
CID 61047505
2-(2-methylanilino)-2-pyridin-3-ylpropan-1-ol
CID 61046057
2-fluoro-2-methyl-N-(2-methylphenyl)propanamide
CID 130165272
N-[1,1,1,3,3,3-hexafluoro-2-(2-methylanilino)propan-2-yl]-2-methylpropanamide
CID 16763847
3-(2-methylanilino)propan-1-ol
CID 18005925
2,5-dimethyl-2-(2-methylanilino)hexanoic acid
CID 60991232
2-methyl-2-N-(2-methylphenyl)pentane-1,2-diamine
CID 65377999
2-chloro-3,3,3-trifluoro-N-(2-methylphenyl)-2-(trifluoromethyl)propanamide
CID 71672661
2-fluoro-2-methyl-3-(2-methylanilino)-3-oxopropanoic acid
CID 175308987

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-2-methyl-2-(2-methylanilino)propan-1-ol?
The IUPAC name of 3,3,3-trifluoro-2-methyl-2-(2-methylanilino)propan-1-ol (CID 106523413) is 3,3,3-trifluoro-2-methyl-2-(2-methylanilino)propan-1-ol.
What is the SMILES notation for 3,3,3-trifluoro-2-methyl-2-(2-methylanilino)propan-1-ol?
The canonical SMILES for 3,3,3-trifluoro-2-methyl-2-(2-methylanilino)propan-1-ol is Cc1ccccc1NC(C)(CO)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-2-methyl-2-(2-methylanilino)propan-1-ol?
The InChIKey is YLWBUACHVFVOOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3NO/c1-8-5-3-4-6-9(8)15-10(2,7-16)11(12,13)14/h3-6,15-16H,7H2,1-2H3.
What are the key properties of 3,3,3-trifluoro-2-methyl-2-(2-methylanilino)propan-1-ol?
3,3,3-trifluoro-2-methyl-2-(2-methylanilino)propan-1-ol has a molecular weight of 233.23 g/mol, XLogP of 2.72, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-2-methyl-2-(2-methylanilino)propan-1-ol is sourced from PubChem (CID 106523413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).