N-(5-methylhexyl)-2-(trifluoromethyl)aniline

C14H20F3N — CID 115326059

IUPACN-(5-methylhexyl)-2-(trifluoromethyl)aniline
SMILESCC(C)CCCCNc1ccccc1C(F)(F)F
InChIInChI=1S/C14H20F3N/c1-11(2)7-5-6-10-18-13-9-4-3-8-12(13)14(15,16)17/h3-4,8-9,11,18H,5-7,10H2,1-2H3
InChIKeyDAZNURAGAPCCGL-UHFFFAOYSA-N
MW259.31 g/mol
LogP4.94
Rot. Bonds6

About N-(5-methylhexyl)-2-(trifluoromethyl)aniline

N-(5-methylhexyl)-2-(trifluoromethyl)aniline (PubChem CID 115326059) has the molecular formula C14H20F3N and a molecular weight of 259.31 g/mol. Its IUPAC name is N-(5-methylhexyl)-2-(trifluoromethyl)aniline.

Molecular Properties

Compound NameN-(5-methylhexyl)-2-(trifluoromethyl)aniline
PubChem CID115326059
Molecular FormulaC14H20F3N
Molecular Weight259.31 g/mol
Exact Mass259.15
IUPAC NameN-(5-methylhexyl)-2-(trifluoromethyl)aniline
SMILESCC(C)CCCCNc1ccccc1C(F)(F)F
InChIInChI=1S/C14H20F3N/c1-11(2)7-5-6-10-18-13-9-4-3-8-12(13)14(15,16)17/h3-4,8-9,11,18H,5-7,10H2,1-2H3
InChIKeyDAZNURAGAPCCGL-UHFFFAOYSA-N
XLogP4.94
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 54.94
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'-methyl-N'-propan-2-yl-N-[2-(trifluoromethyl)phenyl]butane-1,4-diamine
CID 62312600
N-(6-chlorohexyl)-2-(trifluoromethyl)aniline
CID 107846141
N-(5-chloropentyl)-2-(trifluoromethyl)aniline
CID 107320506
4-methyl-N-[1-[2-(trifluoromethyl)phenyl]ethyl]pentan-1-amine
CID 63452516
1-N-[2-(trifluoromethyl)phenyl]pentane-1,3-diamine
CID 113498113
N-(3-propoxypropyl)-2-(trifluoromethyl)aniline
CID 82944074
4-[2-(trifluoromethyl)anilino]butanoic acid
CID 18071647
N-[3-(2-methoxyethoxy)propyl]-2-(trifluoromethyl)aniline
CID 103409295
N-(18-methylnonadecyl)aniline;hydrochloride
CID 173012868
2-N,2-N-dimethyl-1-N-[2-(trifluoromethyl)phenyl]propane-1,2-diamine
CID 62315286
N-octan-2-yl-2-(trifluoromethyl)aniline
CID 43129732
3-fluoro-1-N-(5-methylhexyl)benzene-1,2-diamine
CID 115324654

Frequently Asked Questions

What is the IUPAC name of N-(5-methylhexyl)-2-(trifluoromethyl)aniline?
The IUPAC name of N-(5-methylhexyl)-2-(trifluoromethyl)aniline (CID 115326059) is N-(5-methylhexyl)-2-(trifluoromethyl)aniline.
What is the SMILES notation for N-(5-methylhexyl)-2-(trifluoromethyl)aniline?
The canonical SMILES for N-(5-methylhexyl)-2-(trifluoromethyl)aniline is CC(C)CCCCNc1ccccc1C(F)(F)F.
What is the InChIKey of N-(5-methylhexyl)-2-(trifluoromethyl)aniline?
The InChIKey is DAZNURAGAPCCGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3N/c1-11(2)7-5-6-10-18-13-9-4-3-8-12(13)14(15,16)17/h3-4,8-9,11,18H,5-7,10H2,1-2H3.
What are the key properties of N-(5-methylhexyl)-2-(trifluoromethyl)aniline?
N-(5-methylhexyl)-2-(trifluoromethyl)aniline has a molecular weight of 259.31 g/mol, XLogP of 4.94, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methylhexyl)-2-(trifluoromethyl)aniline is sourced from PubChem (CID 115326059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).