3-[2-amino-4-(trifluoromethyl)anilino]-2,3-dimethylbutan-2-ol

C13H19F3N2O — CID 106183414

IUPAC3-[2-amino-4-(trifluoromethyl)anilino]-2,3-dimethylbutan-2-ol
SMILESCC(C)(O)C(C)(C)Nc1ccc(C(F)(F)F)cc1N
InChIInChI=1S/C13H19F3N2O/c1-11(2,12(3,4)19)18-10-6-5-8(7-9(10)17)13(14,15)16/h5-7,18-19H,17H2,1-4H3
InChIKeyRVCGMNMTFJIOLP-UHFFFAOYSA-N
MW276.30 g/mol
LogP3.25
Rot. Bonds3

About 3-[2-amino-4-(trifluoromethyl)anilino]-2,3-dimethylbutan-2-ol

3-[2-amino-4-(trifluoromethyl)anilino]-2,3-dimethylbutan-2-ol (PubChem CID 106183414) has the molecular formula C13H19F3N2O and a molecular weight of 276.30 g/mol. Its IUPAC name is 3-[2-amino-4-(trifluoromethyl)anilino]-2,3-dimethylbutan-2-ol.

Molecular Properties

Compound Name3-[2-amino-4-(trifluoromethyl)anilino]-2,3-dimethylbutan-2-ol
PubChem CID106183414
Molecular FormulaC13H19F3N2O
Molecular Weight276.30 g/mol
Exact Mass276.14
IUPAC Name3-[2-amino-4-(trifluoromethyl)anilino]-2,3-dimethylbutan-2-ol
SMILESCC(C)(O)C(C)(C)Nc1ccc(C(F)(F)F)cc1N
InChIInChI=1S/C13H19F3N2O/c1-11(2,12(3,4)19)18-10-6-5-8(7-9(10)17)13(14,15)16/h5-7,18-19H,17H2,1-4H3
InChIKeyRVCGMNMTFJIOLP-UHFFFAOYSA-N
XLogP3.25
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 53.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(2-amino-4-fluoroanilino)-2,3-dimethylbutan-2-ol
CID 106183294
3-[2-amino-4-(trifluoromethyl)anilino]-2-methylpropane-1,2-diol
CID 66169467
N-[2-amino-4-(trifluoromethyl)phenyl]acetamide
CID 2779452
4-(trifluoromethyl)-1-N-(2,3,3-trimethylbutyl)benzene-1,2-diamine
CID 83142987
3-[2-amino-4-(trifluoromethyl)anilino]propanamide
CID 43553390
3-[2-amino-4-(trifluoromethyl)phenyl]-1,1-diethylurea
CID 79153883
N-[2-amino-4-(trifluoromethyl)phenyl]-2-(dimethylamino)acetamide
CID 16785588
5-[2-amino-4-(trifluoromethyl)anilino]pentanamide
CID 106234030
3-[2-amino-4-(trifluoromethyl)phenyl]-1-ethyl-1-methylurea
CID 79152321
3-[2-amino-4-(trifluoromethyl)anilino]-3-oxopropanoic acid
CID 110480197
1-N-(2-fluoro-4-methylphenyl)-4-(trifluoromethyl)benzene-1,2-diamine
CID 29067499
N-[2-amino-4-(trifluoromethyl)phenyl]benzamide
CID 16775395

Frequently Asked Questions

What is the IUPAC name of 3-[2-amino-4-(trifluoromethyl)anilino]-2,3-dimethylbutan-2-ol?
The IUPAC name of 3-[2-amino-4-(trifluoromethyl)anilino]-2,3-dimethylbutan-2-ol (CID 106183414) is 3-[2-amino-4-(trifluoromethyl)anilino]-2,3-dimethylbutan-2-ol.
What is the SMILES notation for 3-[2-amino-4-(trifluoromethyl)anilino]-2,3-dimethylbutan-2-ol?
The canonical SMILES for 3-[2-amino-4-(trifluoromethyl)anilino]-2,3-dimethylbutan-2-ol is CC(C)(O)C(C)(C)Nc1ccc(C(F)(F)F)cc1N.
What is the InChIKey of 3-[2-amino-4-(trifluoromethyl)anilino]-2,3-dimethylbutan-2-ol?
The InChIKey is RVCGMNMTFJIOLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N2O/c1-11(2,12(3,4)19)18-10-6-5-8(7-9(10)17)13(14,15)16/h5-7,18-19H,17H2,1-4H3.
What are the key properties of 3-[2-amino-4-(trifluoromethyl)anilino]-2,3-dimethylbutan-2-ol?
3-[2-amino-4-(trifluoromethyl)anilino]-2,3-dimethylbutan-2-ol has a molecular weight of 276.30 g/mol, XLogP of 3.25, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-amino-4-(trifluoromethyl)anilino]-2,3-dimethylbutan-2-ol is sourced from PubChem (CID 106183414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).