3-methyl-N-propan-2-yl-N-[4-(trifluoromethyl)phenyl]aniline

C17H18F3N — CID 59307958

IUPAC3-methyl-N-propan-2-yl-N-[4-(trifluoromethyl)phenyl]aniline
SMILESCc1cccc(N(c2ccc(C(F)(F)F)cc2)C(C)C)c1
InChIInChI=1S/C17H18F3N/c1-12(2)21(16-6-4-5-13(3)11-16)15-9-7-14(8-10-15)17(18,19)20/h4-12H,1-3H3
InChIKeyQPOSYYHLHYTNNZ-UHFFFAOYSA-N
MW293.33 g/mol
LogP5.56
Rot. Bonds3

About 3-methyl-N-propan-2-yl-N-[4-(trifluoromethyl)phenyl]aniline

3-methyl-N-propan-2-yl-N-[4-(trifluoromethyl)phenyl]aniline (PubChem CID 59307958) has the molecular formula C17H18F3N and a molecular weight of 293.33 g/mol. Its IUPAC name is 3-methyl-N-propan-2-yl-N-[4-(trifluoromethyl)phenyl]aniline.

Molecular Properties

Compound Name3-methyl-N-propan-2-yl-N-[4-(trifluoromethyl)phenyl]aniline
PubChem CID59307958
Molecular FormulaC17H18F3N
Molecular Weight293.33 g/mol
Exact Mass293.14
IUPAC Name3-methyl-N-propan-2-yl-N-[4-(trifluoromethyl)phenyl]aniline
SMILESCc1cccc(N(c2ccc(C(F)(F)F)cc2)C(C)C)c1
InChIInChI=1S/C17H18F3N/c1-12(2)21(16-6-4-5-13(3)11-16)15-9-7-14(8-10-15)17(18,19)20/h4-12H,1-3H3
InChIKeyQPOSYYHLHYTNNZ-UHFFFAOYSA-N
XLogP5.56
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500293.33
LogP ≤ 55.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-ethyl-N-(3-methylphenyl)-4-(trifluoromethyl)benzenesulfonamide
CID 3835730
N,N-di(propan-2-yl)-4-(trifluoromethyl)aniline
CID 146165674
1,1,1-trifluoro-3-[3-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]anilino]propan-2-ol
CID 24886784
N-[4-[2-[3,5-bis(trifluoromethyl)phenyl]ethenyl]phenyl]-3-methyl-N-(4-methylphenyl)aniline
CID 138690611
4-methyl-N-phenyl-N-[4-(trifluoromethyl)phenyl]aniline
CID 162147514
N,N-bis(4-tert-butylphenyl)-3-methylaniline
CID 139326638
N,3-dimethyl-N-[1-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]ethyl]aniline
CID 141103753
N,5-di(propan-2-yl)-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine
CID 71054004
9,9-dimethyl-N-(2-methylphenyl)-N-propan-2-ylfluoren-2-amine;9,9-dimethyl-N-(3-methylphenyl)-N-propan-2-ylfluoren-2-amine;9,9-dimethyl-N-(3-phenylphenyl)-N-propan-2-ylfluoren-2-amine;9,9-dimethyl-N-(4-phenylphenyl)-N-propan-2-ylfluoren-2-amine;9,9-dimethyl-N-propan-2-yl-N-[4-(trifluoromethyl)phenyl]fluoren-2-amine;N-(4-fluorophenyl)-9,9-dimethyl-N-propan-2-ylfluoren-2-amine;N-(4-isocyanophenyl)-9,9-dimethyl-N-propan-2-ylfluoren-2-amine;N-(4-methoxyphenyl)-9,9-dimethyl-N-propan-2-ylfluoren-2-amine
CID 158140559
N-benzhydryl-3-methyl-N-(3-methylphenyl)aniline
CID 154167972
N-(4-tert-butylphenyl)-N-propan-2-ylpyren-2-amine
CID 59308585
1-methyl-3-[[4-(trifluoromethyl)phenyl]methyl]benzene
CID 129029518

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-propan-2-yl-N-[4-(trifluoromethyl)phenyl]aniline?
The IUPAC name of 3-methyl-N-propan-2-yl-N-[4-(trifluoromethyl)phenyl]aniline (CID 59307958) is 3-methyl-N-propan-2-yl-N-[4-(trifluoromethyl)phenyl]aniline.
What is the SMILES notation for 3-methyl-N-propan-2-yl-N-[4-(trifluoromethyl)phenyl]aniline?
The canonical SMILES for 3-methyl-N-propan-2-yl-N-[4-(trifluoromethyl)phenyl]aniline is Cc1cccc(N(c2ccc(C(F)(F)F)cc2)C(C)C)c1.
What is the InChIKey of 3-methyl-N-propan-2-yl-N-[4-(trifluoromethyl)phenyl]aniline?
The InChIKey is QPOSYYHLHYTNNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3N/c1-12(2)21(16-6-4-5-13(3)11-16)15-9-7-14(8-10-15)17(18,19)20/h4-12H,1-3H3.
What are the key properties of 3-methyl-N-propan-2-yl-N-[4-(trifluoromethyl)phenyl]aniline?
3-methyl-N-propan-2-yl-N-[4-(trifluoromethyl)phenyl]aniline has a molecular weight of 293.33 g/mol, XLogP of 5.56, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-propan-2-yl-N-[4-(trifluoromethyl)phenyl]aniline is sourced from PubChem (CID 59307958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).