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

C15H22F3N — CID 43129732

IUPACN-octan-2-yl-2-(trifluoromethyl)aniline
SMILESCCCCCCC(C)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C15H22F3N/c1-3-4-5-6-9-12(2)19-14-11-8-7-10-13(14)15(16,17)18/h7-8,10-12,19H,3-6,9H2,1-2H3
InChIKeyQRORPHIEOCBMSJ-UHFFFAOYSA-N
MW273.34 g/mol
LogP5.48
Rot. Bonds7

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

N-octan-2-yl-2-(trifluoromethyl)aniline (PubChem CID 43129732) has the molecular formula C15H22F3N and a molecular weight of 273.34 g/mol. Its IUPAC name is N-octan-2-yl-2-(trifluoromethyl)aniline.

Molecular Properties

Compound NameN-octan-2-yl-2-(trifluoromethyl)aniline
PubChem CID43129732
Molecular FormulaC15H22F3N
Molecular Weight273.34 g/mol
Exact Mass273.17
IUPAC NameN-octan-2-yl-2-(trifluoromethyl)aniline
SMILESCCCCCCC(C)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C15H22F3N/c1-3-4-5-6-9-12(2)19-14-11-8-7-10-13(14)15(16,17)18/h7-8,10-12,19H,3-6,9H2,1-2H3
InChIKeyQRORPHIEOCBMSJ-UHFFFAOYSA-N
XLogP5.48
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500273.34
LogP ≤ 55.48
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

N-[[2-(trifluoromethyl)phenyl]methyl]octan-2-amine
CID 43220747
1-heptan-2-yl-3-[2-(trifluoromethyl)phenyl]thiourea
CID 19650949
2-bromo-N-nonan-2-ylaniline
CID 43129843
N-(4-phenylbutan-2-yl)-2-(trifluoromethyl)aniline
CID 43098311
N-heptan-2-yl-3-(trifluoromethyl)pyridin-2-amine
CID 63541338
4-(octan-2-ylamino)-3-(trifluoromethyl)benzonitrile
CID 43687065
[2-(heptan-2-ylamino)phenyl]methanol
CID 43743067
2-(nonan-2-ylamino)benzonitrile
CID 43129839
N-methyl-2-(octan-2-ylamino)benzenesulfonamide
CID 43749903
2-methyl-N-octan-2-yl-5-(trifluoromethyl)aniline
CID 66480732
2-[2-(octan-2-ylamino)phenyl]acetamide
CID 43738518
2,3-dimethyl-N-nonan-2-ylaniline
CID 43129897

Frequently Asked Questions

What is the IUPAC name of N-octan-2-yl-2-(trifluoromethyl)aniline?
The IUPAC name of N-octan-2-yl-2-(trifluoromethyl)aniline (CID 43129732) is N-octan-2-yl-2-(trifluoromethyl)aniline.
What is the SMILES notation for N-octan-2-yl-2-(trifluoromethyl)aniline?
The canonical SMILES for N-octan-2-yl-2-(trifluoromethyl)aniline is CCCCCCC(C)Nc1ccccc1C(F)(F)F.
What is the InChIKey of N-octan-2-yl-2-(trifluoromethyl)aniline?
The InChIKey is QRORPHIEOCBMSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F3N/c1-3-4-5-6-9-12(2)19-14-11-8-7-10-13(14)15(16,17)18/h7-8,10-12,19H,3-6,9H2,1-2H3.
What are the key properties of N-octan-2-yl-2-(trifluoromethyl)aniline?
N-octan-2-yl-2-(trifluoromethyl)aniline has a molecular weight of 273.34 g/mol, XLogP of 5.48, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-octan-2-yl-2-(trifluoromethyl)aniline is sourced from PubChem (CID 43129732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).