4-methyl-N-(1-phenylpropyl)-3-(trifluoromethyl)aniline

C17H18F3N — CID 63455924

IUPAC4-methyl-N-(1-phenylpropyl)-3-(trifluoromethyl)aniline
SMILESCCC(Nc1ccc(C)c(C(F)(F)F)c1)c1ccccc1
InChIInChI=1S/C17H18F3N/c1-3-16(13-7-5-4-6-8-13)21-14-10-9-12(2)15(11-14)17(18,19)20/h4-11,16,21H,3H2,1-2H3
InChIKeyZODHBONMJIKEKI-UHFFFAOYSA-N
MW293.33 g/mol
LogP5.58
Rot. Bonds4

About 4-methyl-N-(1-phenylpropyl)-3-(trifluoromethyl)aniline

4-methyl-N-(1-phenylpropyl)-3-(trifluoromethyl)aniline (PubChem CID 63455924) has the molecular formula C17H18F3N and a molecular weight of 293.33 g/mol. Its IUPAC name is 4-methyl-N-(1-phenylpropyl)-3-(trifluoromethyl)aniline.

Molecular Properties

Compound Name4-methyl-N-(1-phenylpropyl)-3-(trifluoromethyl)aniline
PubChem CID63455924
Molecular FormulaC17H18F3N
Molecular Weight293.33 g/mol
Exact Mass293.14
IUPAC Name4-methyl-N-(1-phenylpropyl)-3-(trifluoromethyl)aniline
SMILESCCC(Nc1ccc(C)c(C(F)(F)F)c1)c1ccccc1
InChIInChI=1S/C17H18F3N/c1-3-16(13-7-5-4-6-8-13)21-14-10-9-12(2)15(11-14)17(18,19)20/h4-11,16,21H,3H2,1-2H3
InChIKeyZODHBONMJIKEKI-UHFFFAOYSA-N
XLogP5.58
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500293.33
LogP ≤ 55.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-fluoro-3-methyl-N-(1-phenylpropyl)aniline
CID 62809853
3-chloro-N-[1-(4-fluorophenyl)propyl]-4-methylaniline
CID 43104292
4-(1-phenylpropylamino)phenol
CID 43742837
3-N-(1-phenylpropyl)benzene-1,3-diamine
CID 55058097
N-[1-[2-(trifluoromethyl)phenyl]propyl]aniline
CID 15399389
N-(1-phenylpropyl)-2,3-dihydro-1H-inden-5-amine
CID 43111184
N-[1-(4-bromophenyl)propyl]-3-chloro-4-methylaniline
CID 43111547
3-bromo-4-methyl-N-(1-phenylbutyl)aniline
CID 63463611
4-fluoro-N-(1-phenylethyl)-3-(trifluoromethyl)aniline
CID 63455608
2-fluoro-4-(1-phenylpropylamino)benzenecarbothioamide
CID 115368247
N-butan-2-yl-2-[4-methyl-3-(trifluoromethyl)anilino]propanamide
CID 60721218
4-fluoro-N-[1-(furan-2-yl)propyl]-3-(trifluoromethyl)aniline
CID 62632909

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(1-phenylpropyl)-3-(trifluoromethyl)aniline?
The IUPAC name of 4-methyl-N-(1-phenylpropyl)-3-(trifluoromethyl)aniline (CID 63455924) is 4-methyl-N-(1-phenylpropyl)-3-(trifluoromethyl)aniline.
What is the SMILES notation for 4-methyl-N-(1-phenylpropyl)-3-(trifluoromethyl)aniline?
The canonical SMILES for 4-methyl-N-(1-phenylpropyl)-3-(trifluoromethyl)aniline is CCC(Nc1ccc(C)c(C(F)(F)F)c1)c1ccccc1.
What is the InChIKey of 4-methyl-N-(1-phenylpropyl)-3-(trifluoromethyl)aniline?
The InChIKey is ZODHBONMJIKEKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3N/c1-3-16(13-7-5-4-6-8-13)21-14-10-9-12(2)15(11-14)17(18,19)20/h4-11,16,21H,3H2,1-2H3.
What are the key properties of 4-methyl-N-(1-phenylpropyl)-3-(trifluoromethyl)aniline?
4-methyl-N-(1-phenylpropyl)-3-(trifluoromethyl)aniline has a molecular weight of 293.33 g/mol, XLogP of 5.58, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(1-phenylpropyl)-3-(trifluoromethyl)aniline is sourced from PubChem (CID 63455924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).