N-(3-methoxypropyl)-4-(trifluoromethoxy)aniline

C11H14F3NO2 — CID 54935363

IUPACN-(3-methoxypropyl)-4-(trifluoromethoxy)aniline
SMILESCOCCCNc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C11H14F3NO2/c1-16-8-2-7-15-9-3-5-10(6-4-9)17-11(12,13)14/h3-6,15H,2,7-8H2,1H3
InChIKeyIBWPWNQWLRWJRN-UHFFFAOYSA-N
MW249.23 g/mol
LogP3.03
Rot. Bonds6

About N-(3-methoxypropyl)-4-(trifluoromethoxy)aniline

N-(3-methoxypropyl)-4-(trifluoromethoxy)aniline (PubChem CID 54935363) has the molecular formula C11H14F3NO2 and a molecular weight of 249.23 g/mol. Its IUPAC name is N-(3-methoxypropyl)-4-(trifluoromethoxy)aniline.

Molecular Properties

Compound NameN-(3-methoxypropyl)-4-(trifluoromethoxy)aniline
PubChem CID54935363
Molecular FormulaC11H14F3NO2
Molecular Weight249.23 g/mol
Exact Mass249.10
IUPAC NameN-(3-methoxypropyl)-4-(trifluoromethoxy)aniline
SMILESCOCCCNc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C11H14F3NO2/c1-16-8-2-7-15-9-3-5-10(6-4-9)17-11(12,13)14/h3-6,15H,2,7-8H2,1H3
InChIKeyIBWPWNQWLRWJRN-UHFFFAOYSA-N
XLogP3.03
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.23
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-methoxy-N-(3-methoxypropyl)aniline
CID 60925973
N-heptyl-4-(trifluoromethoxy)aniline
CID 43129251
N-(4-methylpentyl)-4-(trifluoromethoxy)aniline
CID 83157081
N-(4-methoxybutyl)-3-(trifluoromethoxy)aniline
CID 112701030
N'-tert-butyl-N-[4-(trifluoromethoxy)phenyl]ethane-1,2-diamine
CID 107444522
N-pent-4-ynyl-4-(trifluoromethoxy)aniline
CID 113343827
N-(2,2-dimethylpropyl)-4-(trifluoromethoxy)aniline
CID 20786173
tert-butyl 4-[4-(trifluoromethoxy)anilino]butanoate
CID 67953675
N-[3-(2-methoxyethoxy)propyl]-3-(trifluoromethoxy)aniline
CID 103409365
N'-(4-methoxyphenyl)-N-(3-methoxypropyl)ethane-1,2-diamine
CID 54805853
N-methyl-2-[4-(trifluoromethoxy)phenoxy]ethanamine
CID 18972791
4-tert-butyl-N-[3-(2-methoxyethoxy)propyl]aniline
CID 103409298

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-4-(trifluoromethoxy)aniline?
The IUPAC name of N-(3-methoxypropyl)-4-(trifluoromethoxy)aniline (CID 54935363) is N-(3-methoxypropyl)-4-(trifluoromethoxy)aniline.
What is the SMILES notation for N-(3-methoxypropyl)-4-(trifluoromethoxy)aniline?
The canonical SMILES for N-(3-methoxypropyl)-4-(trifluoromethoxy)aniline is COCCCNc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of N-(3-methoxypropyl)-4-(trifluoromethoxy)aniline?
The InChIKey is IBWPWNQWLRWJRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3NO2/c1-16-8-2-7-15-9-3-5-10(6-4-9)17-11(12,13)14/h3-6,15H,2,7-8H2,1H3.
What are the key properties of N-(3-methoxypropyl)-4-(trifluoromethoxy)aniline?
N-(3-methoxypropyl)-4-(trifluoromethoxy)aniline has a molecular weight of 249.23 g/mol, XLogP of 3.03, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-4-(trifluoromethoxy)aniline is sourced from PubChem (CID 54935363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).