4-methoxy-2-[3-(trifluoromethoxy)phenyl]aniline

C14H12F3NO2 — CID 156613139

IUPAC4-methoxy-2-[3-(trifluoromethoxy)phenyl]aniline
SMILESCOc1ccc(N)c(-c2cccc(OC(F)(F)F)c2)c1
InChIInChI=1S/C14H12F3NO2/c1-19-10-5-6-13(18)12(8-10)9-3-2-4-11(7-9)20-14(15,16)17/h2-8H,18H2,1H3
InChIKeyNOWLOGYXVIGJGM-UHFFFAOYSA-N
MW283.25 g/mol
LogP3.84
Rot. Bonds3

About 4-methoxy-2-[3-(trifluoromethoxy)phenyl]aniline

4-methoxy-2-[3-(trifluoromethoxy)phenyl]aniline (PubChem CID 156613139) has the molecular formula C14H12F3NO2 and a molecular weight of 283.25 g/mol. Its IUPAC name is 4-methoxy-2-[3-(trifluoromethoxy)phenyl]aniline.

Molecular Properties

Compound Name4-methoxy-2-[3-(trifluoromethoxy)phenyl]aniline
PubChem CID156613139
Molecular FormulaC14H12F3NO2
Molecular Weight283.25 g/mol
Exact Mass283.08
IUPAC Name4-methoxy-2-[3-(trifluoromethoxy)phenyl]aniline
SMILESCOc1ccc(N)c(-c2cccc(OC(F)(F)F)c2)c1
InChIInChI=1S/C14H12F3NO2/c1-19-10-5-6-13(18)12(8-10)9-3-2-4-11(7-9)20-14(15,16)17/h2-8H,18H2,1H3
InChIKeyNOWLOGYXVIGJGM-UHFFFAOYSA-N
XLogP3.84
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.25
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-fluoro-4-methoxyphenyl)-4-(trifluoromethoxy)aniline
CID 172676520
2-methyl-3-[3-(trifluoromethoxy)phenyl]aniline
CID 107626546
1-fluoro-4-(trifluoromethoxy)-2-[3-(trifluoromethoxy)phenyl]benzene
CID 134629043
2-fluoro-3-[3-(trifluoromethoxy)phenyl]aniline
CID 134624108
4-methyl-2,6-bis[3-(trifluoromethoxy)phenyl]aniline
CID 23628482
2-(3,4-difluorophenyl)-4-(trifluoromethoxy)aniline
CID 172676543
6-methoxy-5-[3-(trifluoromethoxy)phenyl]pyridin-3-amine
CID 133086740
3-[3-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)aniline
CID 134624116
4-(trifluoromethoxy)-2-[4-(trifluoromethyl)phenyl]aniline
CID 119006097
4-methoxy-2-pyridin-3-ylaniline
CID 71445761
1-methyl-2-[3-(trifluoromethoxy)phenyl]benzene
CID 18715807
3-(4-methoxyphenyl)-5-(trifluoromethoxy)benzene-1,2-diamine
CID 89404596

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-[3-(trifluoromethoxy)phenyl]aniline?
The IUPAC name of 4-methoxy-2-[3-(trifluoromethoxy)phenyl]aniline (CID 156613139) is 4-methoxy-2-[3-(trifluoromethoxy)phenyl]aniline.
What is the SMILES notation for 4-methoxy-2-[3-(trifluoromethoxy)phenyl]aniline?
The canonical SMILES for 4-methoxy-2-[3-(trifluoromethoxy)phenyl]aniline is COc1ccc(N)c(-c2cccc(OC(F)(F)F)c2)c1.
What is the InChIKey of 4-methoxy-2-[3-(trifluoromethoxy)phenyl]aniline?
The InChIKey is NOWLOGYXVIGJGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3NO2/c1-19-10-5-6-13(18)12(8-10)9-3-2-4-11(7-9)20-14(15,16)17/h2-8H,18H2,1H3.
What are the key properties of 4-methoxy-2-[3-(trifluoromethoxy)phenyl]aniline?
4-methoxy-2-[3-(trifluoromethoxy)phenyl]aniline has a molecular weight of 283.25 g/mol, XLogP of 3.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-[3-(trifluoromethoxy)phenyl]aniline is sourced from PubChem (CID 156613139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).