2-methyl-N-octan-2-yl-5-(trifluoromethyl)aniline

C16H24F3N — CID 66480732

IUPAC2-methyl-N-octan-2-yl-5-(trifluoromethyl)aniline
SMILESCCCCCCC(C)Nc1cc(C(F)(F)F)ccc1C
InChIInChI=1S/C16H24F3N/c1-4-5-6-7-8-13(3)20-15-11-14(16(17,18)19)10-9-12(15)2/h9-11,13,20H,4-8H2,1-3H3
InChIKeyUKRAJBAALICKGX-UHFFFAOYSA-N
MW287.37 g/mol
LogP5.78
Rot. Bonds7

About 2-methyl-N-octan-2-yl-5-(trifluoromethyl)aniline

2-methyl-N-octan-2-yl-5-(trifluoromethyl)aniline (PubChem CID 66480732) has the molecular formula C16H24F3N and a molecular weight of 287.37 g/mol. Its IUPAC name is 2-methyl-N-octan-2-yl-5-(trifluoromethyl)aniline.

Molecular Properties

Compound Name2-methyl-N-octan-2-yl-5-(trifluoromethyl)aniline
PubChem CID66480732
Molecular FormulaC16H24F3N
Molecular Weight287.37 g/mol
Exact Mass287.19
IUPAC Name2-methyl-N-octan-2-yl-5-(trifluoromethyl)aniline
SMILESCCCCCCC(C)Nc1cc(C(F)(F)F)ccc1C
InChIInChI=1S/C16H24F3N/c1-4-5-6-7-8-13(3)20-15-11-14(16(17,18)19)10-9-12(15)2/h9-11,13,20H,4-8H2,1-3H3
InChIKeyUKRAJBAALICKGX-UHFFFAOYSA-N
XLogP5.78
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500287.37
LogP ≤ 55.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-methyl-N-pentan-2-yl-5-(trifluoromethyl)aniline
CID 66481332
2-methyl-N-(6,6,6-trifluorohexan-2-yl)-5-(trifluoromethyl)aniline
CID 116534878
N-octan-2-yl-2-(trifluoromethyl)aniline
CID 43129732
2-methyl-N-(3-methylpentan-2-yl)-5-(trifluoromethyl)aniline
CID 66478753
3-[2-methyl-5-(trifluoromethyl)anilino]butanoic acid
CID 66480950
N-heptan-2-yl-2-methyl-5-methylsulfonylaniline
CID 43685058
methyl 4-methyl-3-(octan-2-ylamino)benzoate
CID 43680521
3-(heptan-2-ylamino)-4-methylbenzenesulfonamide
CID 43744136
N-ethyl-1-[2-methyl-4-(trifluoromethyl)phenyl]hexan-1-amine
CID 102758491
2-methyl-N-(5-methylheptan-3-yl)-5-(trifluoromethyl)aniline
CID 66478749
N-(butylamino)-N-[2-methyl-5-(trifluoromethyl)anilino]methanamine
CID 146594709
2-fluoro-4-methyl-N-octan-2-ylaniline
CID 43130115

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-octan-2-yl-5-(trifluoromethyl)aniline?
The IUPAC name of 2-methyl-N-octan-2-yl-5-(trifluoromethyl)aniline (CID 66480732) is 2-methyl-N-octan-2-yl-5-(trifluoromethyl)aniline.
What is the SMILES notation for 2-methyl-N-octan-2-yl-5-(trifluoromethyl)aniline?
The canonical SMILES for 2-methyl-N-octan-2-yl-5-(trifluoromethyl)aniline is CCCCCCC(C)Nc1cc(C(F)(F)F)ccc1C.
What is the InChIKey of 2-methyl-N-octan-2-yl-5-(trifluoromethyl)aniline?
The InChIKey is UKRAJBAALICKGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24F3N/c1-4-5-6-7-8-13(3)20-15-11-14(16(17,18)19)10-9-12(15)2/h9-11,13,20H,4-8H2,1-3H3.
What are the key properties of 2-methyl-N-octan-2-yl-5-(trifluoromethyl)aniline?
2-methyl-N-octan-2-yl-5-(trifluoromethyl)aniline has a molecular weight of 287.37 g/mol, XLogP of 5.78, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-octan-2-yl-5-(trifluoromethyl)aniline is sourced from PubChem (CID 66480732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).