N-methyl-N-(2-methylpropyl)-4-(trifluoromethyl)aniline

C12H16F3N — CID 134254928

IUPACN-methyl-N-(2-methylpropyl)-4-(trifluoromethyl)aniline
SMILESCC(C)CN(C)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C12H16F3N/c1-9(2)8-16(3)11-6-4-10(5-7-11)12(13,14)15/h4-7,9H,8H2,1-3H3
InChIKeyNYYYXXQLWUFLTN-UHFFFAOYSA-N
MW231.26 g/mol
LogP3.80
Rot. Bonds3

About N-methyl-N-(2-methylpropyl)-4-(trifluoromethyl)aniline

N-methyl-N-(2-methylpropyl)-4-(trifluoromethyl)aniline (PubChem CID 134254928) has the molecular formula C12H16F3N and a molecular weight of 231.26 g/mol. Its IUPAC name is N-methyl-N-(2-methylpropyl)-4-(trifluoromethyl)aniline.

Molecular Properties

Compound NameN-methyl-N-(2-methylpropyl)-4-(trifluoromethyl)aniline
PubChem CID134254928
Molecular FormulaC12H16F3N
Molecular Weight231.26 g/mol
Exact Mass231.12
IUPAC NameN-methyl-N-(2-methylpropyl)-4-(trifluoromethyl)aniline
SMILESCC(C)CN(C)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C12H16F3N/c1-9(2)8-16(3)11-6-4-10(5-7-11)12(13,14)15/h4-7,9H,8H2,1-3H3
InChIKeyNYYYXXQLWUFLTN-UHFFFAOYSA-N
XLogP3.80
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.26
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[N-methyl-4-(trifluoromethyl)anilino]butan-2-ol
CID 167467620
1-amino-3-[N-methyl-4-(trifluoromethyl)anilino]propan-2-ol
CID 70591029
N-methyl-N-(2-methylpropyl)-5-(trifluoromethyl)pyridin-2-amine
CID 133276838
N-methyl-N-(2-methylpropyl)pyridin-4-amine
CID 123668191
4-[methyl(2-methylpropyl)amino]phenol
CID 57245584
N,N-dimethyl-4-(trifluoromethyl)aniline
CID 6432341
N,N-di(propan-2-yl)-4-(trifluoromethyl)aniline
CID 146165674
2-methyl-3-[N-(2-methylpropyl)-4-(trifluoromethyl)anilino]propanoic acid
CID 82319389
4-(2-aminoethyl)-N-methyl-N-(2-methylpropyl)aniline
CID 63782370
1-[4-[methyl(2-methylpropyl)amino]phenyl]ethanone
CID 43272204
N-methyl-4-(methylaminomethyl)-N-(2-methylpropyl)aniline
CID 43281929
N-(2-methoxyethoxymethyl)-N-methyl-4-(trifluoromethyl)aniline
CID 70976882

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2-methylpropyl)-4-(trifluoromethyl)aniline?
The IUPAC name of N-methyl-N-(2-methylpropyl)-4-(trifluoromethyl)aniline (CID 134254928) is N-methyl-N-(2-methylpropyl)-4-(trifluoromethyl)aniline.
What is the SMILES notation for N-methyl-N-(2-methylpropyl)-4-(trifluoromethyl)aniline?
The canonical SMILES for N-methyl-N-(2-methylpropyl)-4-(trifluoromethyl)aniline is CC(C)CN(C)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-methyl-N-(2-methylpropyl)-4-(trifluoromethyl)aniline?
The InChIKey is NYYYXXQLWUFLTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N/c1-9(2)8-16(3)11-6-4-10(5-7-11)12(13,14)15/h4-7,9H,8H2,1-3H3.
What are the key properties of N-methyl-N-(2-methylpropyl)-4-(trifluoromethyl)aniline?
N-methyl-N-(2-methylpropyl)-4-(trifluoromethyl)aniline has a molecular weight of 231.26 g/mol, XLogP of 3.80, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2-methylpropyl)-4-(trifluoromethyl)aniline is sourced from PubChem (CID 134254928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).