2-[4-(aminomethyl)-3-(trifluoromethyl)anilino]-3-methylbutan-1-ol

C13H19F3N2O — CID 79254725

IUPAC2-[4-(aminomethyl)-3-(trifluoromethyl)anilino]-3-methylbutan-1-ol
SMILESCC(C)C(CO)Nc1ccc(CN)c(C(F)(F)F)c1
InChIInChI=1S/C13H19F3N2O/c1-8(2)12(7-19)18-10-4-3-9(6-17)11(5-10)13(14,15)16/h3-5,8,12,18-19H,6-7,17H2,1-2H3
InChIKeyVQEZETCQGBNETG-UHFFFAOYSA-N
MW276.30 g/mol
LogP2.59
Rot. Bonds5

About 2-[4-(aminomethyl)-3-(trifluoromethyl)anilino]-3-methylbutan-1-ol

2-[4-(aminomethyl)-3-(trifluoromethyl)anilino]-3-methylbutan-1-ol (PubChem CID 79254725) has the molecular formula C13H19F3N2O and a molecular weight of 276.30 g/mol. Its IUPAC name is 2-[4-(aminomethyl)-3-(trifluoromethyl)anilino]-3-methylbutan-1-ol.

Molecular Properties

Compound Name2-[4-(aminomethyl)-3-(trifluoromethyl)anilino]-3-methylbutan-1-ol
PubChem CID79254725
Molecular FormulaC13H19F3N2O
Molecular Weight276.30 g/mol
Exact Mass276.14
IUPAC Name2-[4-(aminomethyl)-3-(trifluoromethyl)anilino]-3-methylbutan-1-ol
SMILESCC(C)C(CO)Nc1ccc(CN)c(C(F)(F)F)c1
InChIInChI=1S/C13H19F3N2O/c1-8(2)12(7-19)18-10-4-3-9(6-17)11(5-10)13(14,15)16/h3-5,8,12,18-19H,6-7,17H2,1-2H3
InChIKeyVQEZETCQGBNETG-UHFFFAOYSA-N
XLogP2.59
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 52.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-[4-(aminomethyl)-3-(trifluoromethyl)anilino]-3-methylbutan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-(aminomethyl)-3-bromoanilino]-3-methylbutan-1-ol
CID 107274980
4-[(1-hydroxy-3-methylbutan-2-yl)amino]-2-(trifluoromethyl)benzoic acid
CID 79245507
4-(aminomethyl)-N-ethyl-3-(trifluoromethyl)aniline
CID 62105465
N-[4-(aminomethyl)-3-(trifluoromethyl)phenyl]-3-methylpentanamide
CID 114873414
3-methyl-2-[4-(trifluoromethylsulfonyl)anilino]butan-1-ol
CID 79247376
2-[4-(aminomethyl)-2,3-difluoroanilino]-3-methylbutan-1-ol
CID 114017625
1-(aminomethyl)-4-[[methyl(propan-2-yl)sulfamoyl]amino]-2-(trifluoromethyl)benzene
CID 65483179
2-(4-fluoro-3-methylanilino)-3-methylbutan-1-ol
CID 115137256
2-[4-[(1-hydroxy-4-methylpentan-2-yl)amino]-2-(trifluoromethyl)phenyl]acetonitrile
CID 69328176
N-[4-(aminomethyl)-3-(trifluoromethyl)phenyl]-2,2-dimethylbutanamide
CID 65485514
4-(aminomethyl)-3-[[(2R)-1-hydroxy-3-methylbutan-2-yl]amino]benzene-1,2-diol
CID 173195859
(2S)-2-[4-isocyano-3-(trifluoromethyl)anilino]propan-1-ol
CID 123266299

Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)-3-(trifluoromethyl)anilino]-3-methylbutan-1-ol?
The IUPAC name of 2-[4-(aminomethyl)-3-(trifluoromethyl)anilino]-3-methylbutan-1-ol (CID 79254725) is 2-[4-(aminomethyl)-3-(trifluoromethyl)anilino]-3-methylbutan-1-ol.
What is the SMILES notation for 2-[4-(aminomethyl)-3-(trifluoromethyl)anilino]-3-methylbutan-1-ol?
The canonical SMILES for 2-[4-(aminomethyl)-3-(trifluoromethyl)anilino]-3-methylbutan-1-ol is CC(C)C(CO)Nc1ccc(CN)c(C(F)(F)F)c1.
What is the InChIKey of 2-[4-(aminomethyl)-3-(trifluoromethyl)anilino]-3-methylbutan-1-ol?
The InChIKey is VQEZETCQGBNETG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N2O/c1-8(2)12(7-19)18-10-4-3-9(6-17)11(5-10)13(14,15)16/h3-5,8,12,18-19H,6-7,17H2,1-2H3.
What are the key properties of 2-[4-(aminomethyl)-3-(trifluoromethyl)anilino]-3-methylbutan-1-ol?
2-[4-(aminomethyl)-3-(trifluoromethyl)anilino]-3-methylbutan-1-ol has a molecular weight of 276.30 g/mol, XLogP of 2.59, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(aminomethyl)-3-(trifluoromethyl)anilino]-3-methylbutan-1-ol is sourced from PubChem (CID 79254725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).