2-methyl-N-(6,6,6-trifluorohexan-2-yl)-5-(trifluoromethyl)aniline

C14H17F6N — CID 116534878

IUPAC2-methyl-N-(6,6,6-trifluorohexan-2-yl)-5-(trifluoromethyl)aniline
SMILESCc1ccc(C(F)(F)F)cc1NC(C)CCCC(F)(F)F
InChIInChI=1S/C14H17F6N/c1-9-5-6-11(14(18,19)20)8-12(9)21-10(2)4-3-7-13(15,16)17/h5-6,8,10,21H,3-4,7H2,1-2H3
InChIKeyYIDSLLYVOQGLKL-UHFFFAOYSA-N
MW313.29 g/mol
LogP5.55
Rot. Bonds5

About 2-methyl-N-(6,6,6-trifluorohexan-2-yl)-5-(trifluoromethyl)aniline

2-methyl-N-(6,6,6-trifluorohexan-2-yl)-5-(trifluoromethyl)aniline (PubChem CID 116534878) has the molecular formula C14H17F6N and a molecular weight of 313.29 g/mol. Its IUPAC name is 2-methyl-N-(6,6,6-trifluorohexan-2-yl)-5-(trifluoromethyl)aniline.

Molecular Properties

Compound Name2-methyl-N-(6,6,6-trifluorohexan-2-yl)-5-(trifluoromethyl)aniline
PubChem CID116534878
Molecular FormulaC14H17F6N
Molecular Weight313.29 g/mol
Exact Mass313.13
IUPAC Name2-methyl-N-(6,6,6-trifluorohexan-2-yl)-5-(trifluoromethyl)aniline
SMILESCc1ccc(C(F)(F)F)cc1NC(C)CCCC(F)(F)F
InChIInChI=1S/C14H17F6N/c1-9-5-6-11(14(18,19)20)8-12(9)21-10(2)4-3-7-13(15,16)17/h5-6,8,10,21H,3-4,7H2,1-2H3
InChIKeyYIDSLLYVOQGLKL-UHFFFAOYSA-N
XLogP5.55
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.29
LogP ≤ 55.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-methyl-N-(6,6,6-trifluorohexan-2-yl)-5-(trifluoromethyl)aniline 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-methyl-N-octan-2-yl-5-(trifluoromethyl)aniline
CID 66480732
2-methyl-N-pentan-2-yl-5-(trifluoromethyl)aniline
CID 66481332
methyl 4-methyl-3-(6,6,6-trifluorohexan-2-ylamino)benzoate
CID 116534264
3-[2-methyl-5-(trifluoromethyl)anilino]butanoic acid
CID 66480950
3-fluoro-4-methyl-N-(6,6,6-trifluorohexan-2-yl)aniline
CID 116534048
3-methyl-4-(6,6,6-trifluorohexan-2-ylamino)benzoic acid
CID 116534457
2-methyl-N-(3-methylpentan-2-yl)-5-(trifluoromethyl)aniline
CID 66478753
4-[2-fluoro-4-(trifluoromethyl)anilino]pentan-1-ol
CID 113254397
4-bromo-N-(6,6,6-trifluorohexan-2-yl)-2-(trifluoromethyl)aniline
CID 116534532
1-[2-methyl-5-(trifluoromethyl)anilino]propan-2-ol
CID 66479358
(2S)-1-[2-methyl-5-(trifluoromethyl)anilino]propan-2-ol
CID 106932273
N-but-3-en-2-yl-2-methyl-5-(trifluoromethyl)aniline
CID 107907236

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(6,6,6-trifluorohexan-2-yl)-5-(trifluoromethyl)aniline?
The IUPAC name of 2-methyl-N-(6,6,6-trifluorohexan-2-yl)-5-(trifluoromethyl)aniline (CID 116534878) is 2-methyl-N-(6,6,6-trifluorohexan-2-yl)-5-(trifluoromethyl)aniline.
What is the SMILES notation for 2-methyl-N-(6,6,6-trifluorohexan-2-yl)-5-(trifluoromethyl)aniline?
The canonical SMILES for 2-methyl-N-(6,6,6-trifluorohexan-2-yl)-5-(trifluoromethyl)aniline is Cc1ccc(C(F)(F)F)cc1NC(C)CCCC(F)(F)F.
What is the InChIKey of 2-methyl-N-(6,6,6-trifluorohexan-2-yl)-5-(trifluoromethyl)aniline?
The InChIKey is YIDSLLYVOQGLKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F6N/c1-9-5-6-11(14(18,19)20)8-12(9)21-10(2)4-3-7-13(15,16)17/h5-6,8,10,21H,3-4,7H2,1-2H3.
What are the key properties of 2-methyl-N-(6,6,6-trifluorohexan-2-yl)-5-(trifluoromethyl)aniline?
2-methyl-N-(6,6,6-trifluorohexan-2-yl)-5-(trifluoromethyl)aniline has a molecular weight of 313.29 g/mol, XLogP of 5.55, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(6,6,6-trifluorohexan-2-yl)-5-(trifluoromethyl)aniline is sourced from PubChem (CID 116534878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).