N-(3-methoxypentyl)-3-methyl-4-(trifluoromethyl)aniline

C14H20F3NO — CID 23465418

IUPACN-(3-methoxypentyl)-3-methyl-4-(trifluoromethyl)aniline
SMILESCCC(CCNc1ccc(C(F)(F)F)c(C)c1)OC
InChIInChI=1S/C14H20F3NO/c1-4-12(19-3)7-8-18-11-5-6-13(10(2)9-11)14(15,16)17/h5-6,9,12,18H,4,7-8H2,1-3H3
InChIKeySUSITANJWMDBLF-UHFFFAOYSA-N
MW275.31 g/mol
LogP4.24
Rot. Bonds6

About N-(3-methoxypentyl)-3-methyl-4-(trifluoromethyl)aniline

N-(3-methoxypentyl)-3-methyl-4-(trifluoromethyl)aniline (PubChem CID 23465418) has the molecular formula C14H20F3NO and a molecular weight of 275.31 g/mol. Its IUPAC name is N-(3-methoxypentyl)-3-methyl-4-(trifluoromethyl)aniline.

Molecular Properties

Compound NameN-(3-methoxypentyl)-3-methyl-4-(trifluoromethyl)aniline
PubChem CID23465418
Molecular FormulaC14H20F3NO
Molecular Weight275.31 g/mol
Exact Mass275.15
IUPAC NameN-(3-methoxypentyl)-3-methyl-4-(trifluoromethyl)aniline
SMILESCCC(CCNc1ccc(C(F)(F)F)c(C)c1)OC
InChIInChI=1S/C14H20F3NO/c1-4-12(19-3)7-8-18-11-5-6-13(10(2)9-11)14(15,16)17/h5-6,9,12,18H,4,7-8H2,1-3H3
InChIKeySUSITANJWMDBLF-UHFFFAOYSA-N
XLogP4.24
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-ethylpropyl)-3,4-dimethylaniline
CID 91984
N,3,4-trimethylaniline
CID 12377758
4-((3,4-Dimethylphenyl)amino)butan-1-ol
CID 1787855
N-ethyl-4-(trifluoromethyl)aniline
CID 11252470
N-(2-methoxycyclohexyl)-3,4-dimethylaniline
CID 2850833
N-(3,4-dimethylphenyl)-2,2,2-trifluoroacetamide
CID 675950
4-(4-Methoxypiperidin-1-yl)-3-(trifluoromethyl)aniline
CID 50989293
2-((4-(Trifluoromethyl)phenyl)amino)ethan-1-ol
CID 28575735
N-(3-methoxypropyl)-4-methylaniline
CID 57060896
4-[(2-Hydroxy-2-methylpropyl)amino]-2-(trifluoromethyl)benzonitrile
CID 56786720
N-(3-methoxypropyl)-3-(4-methylphenyl)aniline
CID 178292988
N-(3-methoxypropyl)-4-(4-methylphenyl)aniline
CID 178319132

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypentyl)-3-methyl-4-(trifluoromethyl)aniline?
The IUPAC name of N-(3-methoxypentyl)-3-methyl-4-(trifluoromethyl)aniline (CID 23465418) is N-(3-methoxypentyl)-3-methyl-4-(trifluoromethyl)aniline.
What is the SMILES notation for N-(3-methoxypentyl)-3-methyl-4-(trifluoromethyl)aniline?
The canonical SMILES for N-(3-methoxypentyl)-3-methyl-4-(trifluoromethyl)aniline is CCC(CCNc1ccc(C(F)(F)F)c(C)c1)OC.
What is the InChIKey of N-(3-methoxypentyl)-3-methyl-4-(trifluoromethyl)aniline?
The InChIKey is SUSITANJWMDBLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3NO/c1-4-12(19-3)7-8-18-11-5-6-13(10(2)9-11)14(15,16)17/h5-6,9,12,18H,4,7-8H2,1-3H3.
What are the key properties of N-(3-methoxypentyl)-3-methyl-4-(trifluoromethyl)aniline?
N-(3-methoxypentyl)-3-methyl-4-(trifluoromethyl)aniline has a molecular weight of 275.31 g/mol, XLogP of 4.24, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypentyl)-3-methyl-4-(trifluoromethyl)aniline is sourced from PubChem (CID 23465418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).