2,5-dimethyl-N-(4,4,4-trifluorobutan-2-yl)aniline

C12H16F3N — CID 115928156

IUPAC2,5-dimethyl-N-(4,4,4-trifluorobutan-2-yl)aniline
SMILESCc1ccc(C)c(NC(C)CC(F)(F)F)c1
InChIInChI=1S/C12H16F3N/c1-8-4-5-9(2)11(6-8)16-10(3)7-12(13,14)15/h4-6,10,16H,7H2,1-3H3
InChIKeyTXYZZUJUPJTIDG-UHFFFAOYSA-N
MW231.26 g/mol
LogP4.06
Rot. Bonds3

About 2,5-dimethyl-N-(4,4,4-trifluorobutan-2-yl)aniline

2,5-dimethyl-N-(4,4,4-trifluorobutan-2-yl)aniline (PubChem CID 115928156) has the molecular formula C12H16F3N and a molecular weight of 231.26 g/mol. Its IUPAC name is 2,5-dimethyl-N-(4,4,4-trifluorobutan-2-yl)aniline.

Molecular Properties

Compound Name2,5-dimethyl-N-(4,4,4-trifluorobutan-2-yl)aniline
PubChem CID115928156
Molecular FormulaC12H16F3N
Molecular Weight231.26 g/mol
Exact Mass231.12
IUPAC Name2,5-dimethyl-N-(4,4,4-trifluorobutan-2-yl)aniline
SMILESCc1ccc(C)c(NC(C)CC(F)(F)F)c1
InChIInChI=1S/C12H16F3N/c1-8-4-5-9(2)11(6-8)16-10(3)7-12(13,14)15/h4-6,10,16H,7H2,1-3H3
InChIKeyTXYZZUJUPJTIDG-UHFFFAOYSA-N
XLogP4.06
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.26
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-(2,5-dimethylanilino)pentan-1-ol
CID 115976106
2,5-dimethyl-N-(4-phenylbutan-2-yl)aniline
CID 43094637
2-methyl-N-(6,6,6-trifluorohexan-2-yl)-5-(trifluoromethyl)aniline
CID 116534878
2-methyl-N-pentan-2-yl-5-(trifluoromethyl)aniline
CID 66481332
5-methyl-2-[1-(4,4,4-trifluorobutan-2-ylamino)ethyl]phenol
CID 113463320
N-[1-(2,6-difluorophenyl)ethyl]-2,5-dimethylaniline
CID 43110826
N-bromo-2,5-dimethylaniline
CID 154170384
2,5-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]aniline
CID 54962118
1-(2,4-dimethylphenyl)-N-ethyl-3,3,3-trifluoropropan-1-amine
CID 43490017
3-amino-2-(2,5-dimethylanilino)propanoic acid
CID 130492136
2-bromo-5-methyl-N-(4-methyl-4-phenylpentan-2-yl)aniline
CID 82744754
3-[2-methyl-5-(trifluoromethyl)anilino]butanoic acid
CID 66480950

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-(4,4,4-trifluorobutan-2-yl)aniline?
The IUPAC name of 2,5-dimethyl-N-(4,4,4-trifluorobutan-2-yl)aniline (CID 115928156) is 2,5-dimethyl-N-(4,4,4-trifluorobutan-2-yl)aniline.
What is the SMILES notation for 2,5-dimethyl-N-(4,4,4-trifluorobutan-2-yl)aniline?
The canonical SMILES for 2,5-dimethyl-N-(4,4,4-trifluorobutan-2-yl)aniline is Cc1ccc(C)c(NC(C)CC(F)(F)F)c1.
What is the InChIKey of 2,5-dimethyl-N-(4,4,4-trifluorobutan-2-yl)aniline?
The InChIKey is TXYZZUJUPJTIDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N/c1-8-4-5-9(2)11(6-8)16-10(3)7-12(13,14)15/h4-6,10,16H,7H2,1-3H3.
What are the key properties of 2,5-dimethyl-N-(4,4,4-trifluorobutan-2-yl)aniline?
2,5-dimethyl-N-(4,4,4-trifluorobutan-2-yl)aniline has a molecular weight of 231.26 g/mol, XLogP of 4.06, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-(4,4,4-trifluorobutan-2-yl)aniline is sourced from PubChem (CID 115928156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).