4-(trifluoromethyl)-N-(2,5,5-trimethylhexan-3-yl)aniline

C16H24F3N — CID 59205123

IUPAC4-(trifluoromethyl)-N-(2,5,5-trimethylhexan-3-yl)aniline
SMILESCC(C)C(CC(C)(C)C)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H24F3N/c1-11(2)14(10-15(3,4)5)20-13-8-6-12(7-9-13)16(17,18)19/h6-9,11,14,20H,10H2,1-5H3
InChIKeyYRADLKFIVPJQNT-UHFFFAOYSA-N
MW287.37 g/mol
LogP5.58
Rot. Bonds4

About 4-(trifluoromethyl)-N-(2,5,5-trimethylhexan-3-yl)aniline

4-(trifluoromethyl)-N-(2,5,5-trimethylhexan-3-yl)aniline (PubChem CID 59205123) has the molecular formula C16H24F3N and a molecular weight of 287.37 g/mol. Its IUPAC name is 4-(trifluoromethyl)-N-(2,5,5-trimethylhexan-3-yl)aniline.

Molecular Properties

Compound Name4-(trifluoromethyl)-N-(2,5,5-trimethylhexan-3-yl)aniline
PubChem CID59205123
Molecular FormulaC16H24F3N
Molecular Weight287.37 g/mol
Exact Mass287.19
IUPAC Name4-(trifluoromethyl)-N-(2,5,5-trimethylhexan-3-yl)aniline
SMILESCC(C)C(CC(C)(C)C)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H24F3N/c1-11(2)14(10-15(3,4)5)20-13-8-6-12(7-9-13)16(17,18)19/h6-9,11,14,20H,10H2,1-5H3
InChIKeyYRADLKFIVPJQNT-UHFFFAOYSA-N
XLogP5.58
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500287.37
LogP ≤ 55.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(1-chloro-3-methylbutan-2-yl)-4-(trifluoromethyl)aniline
CID 23160674
(3R)-4-methyl-3-[4-(trifluoromethyl)anilino]pentanenitrile
CID 66968951
N-[(2R)-3-methyl-1-phenoxybutan-2-yl]-4-(trifluoromethyl)aniline
CID 66969217
(2S)-2-amino-3-methyl-N-[(2R)-3-methyl-2-[4-(trifluoromethyl)anilino]butyl]butanamide
CID 58834443
N-(2,3-dimethylbutyl)-4-(trifluoromethyl)aniline
CID 64597564
N-[(2R)-3-methyl-2-[4-(trifluoromethyl)anilino]butyl]-4-(pyridin-4-ylamino)benzamide
CID 58834495
N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-4-(trifluoromethyl)aniline
CID 114168065
N-(1-chlorobutan-2-yl)-4-(trifluoromethyl)aniline
CID 65030358
N-tert-butyl-2-[4-(trifluoromethyl)anilino]propanamide
CID 43087018
2-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]pentan-3-amine
CID 61468668
N-[(3S)-4-methyl-3-[4-(trifluoromethyl)anilino]pentyl]-2-thiophen-2-ylacetamide
CID 58834472
1-(2,2-dimethylpropyl)-4-(trifluoromethyl)benzene
CID 14921472

Frequently Asked Questions

What is the IUPAC name of 4-(trifluoromethyl)-N-(2,5,5-trimethylhexan-3-yl)aniline?
The IUPAC name of 4-(trifluoromethyl)-N-(2,5,5-trimethylhexan-3-yl)aniline (CID 59205123) is 4-(trifluoromethyl)-N-(2,5,5-trimethylhexan-3-yl)aniline.
What is the SMILES notation for 4-(trifluoromethyl)-N-(2,5,5-trimethylhexan-3-yl)aniline?
The canonical SMILES for 4-(trifluoromethyl)-N-(2,5,5-trimethylhexan-3-yl)aniline is CC(C)C(CC(C)(C)C)Nc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 4-(trifluoromethyl)-N-(2,5,5-trimethylhexan-3-yl)aniline?
The InChIKey is YRADLKFIVPJQNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24F3N/c1-11(2)14(10-15(3,4)5)20-13-8-6-12(7-9-13)16(17,18)19/h6-9,11,14,20H,10H2,1-5H3.
What are the key properties of 4-(trifluoromethyl)-N-(2,5,5-trimethylhexan-3-yl)aniline?
4-(trifluoromethyl)-N-(2,5,5-trimethylhexan-3-yl)aniline has a molecular weight of 287.37 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-(trifluoromethyl)-N-(2,5,5-trimethylhexan-3-yl)aniline is sourced from PubChem (CID 59205123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).