3-methoxy-4-methyl-5-[4-(trifluoromethoxy)phenyl]aniline

C15H14F3NO2 — CID 168905204

IUPAC3-methoxy-4-methyl-5-[4-(trifluoromethoxy)phenyl]aniline
SMILESCOc1cc(N)cc(-c2ccc(OC(F)(F)F)cc2)c1C
InChIInChI=1S/C15H14F3NO2/c1-9-13(7-11(19)8-14(9)20-2)10-3-5-12(6-4-10)21-15(16,17)18/h3-8H,19H2,1-2H3
InChIKeyHVLUFEWQWGGCTQ-UHFFFAOYSA-N
MW297.28 g/mol
LogP4.15
Rot. Bonds3

About 3-methoxy-4-methyl-5-[4-(trifluoromethoxy)phenyl]aniline

3-methoxy-4-methyl-5-[4-(trifluoromethoxy)phenyl]aniline (PubChem CID 168905204) has the molecular formula C15H14F3NO2 and a molecular weight of 297.28 g/mol. Its IUPAC name is 3-methoxy-4-methyl-5-[4-(trifluoromethoxy)phenyl]aniline.

Molecular Properties

Compound Name3-methoxy-4-methyl-5-[4-(trifluoromethoxy)phenyl]aniline
PubChem CID168905204
Molecular FormulaC15H14F3NO2
Molecular Weight297.28 g/mol
Exact Mass297.10
IUPAC Name3-methoxy-4-methyl-5-[4-(trifluoromethoxy)phenyl]aniline
SMILESCOc1cc(N)cc(-c2ccc(OC(F)(F)F)cc2)c1C
InChIInChI=1S/C15H14F3NO2/c1-9-13(7-11(19)8-14(9)20-2)10-3-5-12(6-4-10)21-15(16,17)18/h3-8H,19H2,1-2H3
InChIKeyHVLUFEWQWGGCTQ-UHFFFAOYSA-N
XLogP4.15
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.28
LogP ≤ 54.15
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

3-Methoxy-4-methylaniline
CID 27882
2,7-diamino-4-(4-methoxyphenyl)-4H-chromene-3-carbonitrile
CID 2839021
4-Amino-4'-methoxybiphenyl
CID 2759564
4-Methoxy-2-naphthylamine
CID 151041
2,7-diamino-4-(3-methoxyphenyl)-4H-chromene-3-carbonitrile
CID 2838911
5-(Trifluoromethyl)-m-anisidine
CID 605671
4,4'-Methanediylbis(3-methoxyaniline)
CID 750093
2-Methoxy-[1,1'-biphenyl]-4-amine
CID 521773
2,2'-Dimethoxybiphenyl-4,4'-diamine
CID 618483
4'-Methoxy(1,1'-biphenyl)-3-amine
CID 2759563
3-(2-Methoxyphenyl)aniline
CID 2759566
6,7-Dimethoxynaphthalen-2-amine
CID 12237780

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-4-methyl-5-[4-(trifluoromethoxy)phenyl]aniline?
The IUPAC name of 3-methoxy-4-methyl-5-[4-(trifluoromethoxy)phenyl]aniline (CID 168905204) is 3-methoxy-4-methyl-5-[4-(trifluoromethoxy)phenyl]aniline.
What is the SMILES notation for 3-methoxy-4-methyl-5-[4-(trifluoromethoxy)phenyl]aniline?
The canonical SMILES for 3-methoxy-4-methyl-5-[4-(trifluoromethoxy)phenyl]aniline is COc1cc(N)cc(-c2ccc(OC(F)(F)F)cc2)c1C.
What is the InChIKey of 3-methoxy-4-methyl-5-[4-(trifluoromethoxy)phenyl]aniline?
The InChIKey is HVLUFEWQWGGCTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3NO2/c1-9-13(7-11(19)8-14(9)20-2)10-3-5-12(6-4-10)21-15(16,17)18/h3-8H,19H2,1-2H3.
What are the key properties of 3-methoxy-4-methyl-5-[4-(trifluoromethoxy)phenyl]aniline?
3-methoxy-4-methyl-5-[4-(trifluoromethoxy)phenyl]aniline has a molecular weight of 297.28 g/mol, XLogP of 4.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-4-methyl-5-[4-(trifluoromethoxy)phenyl]aniline is sourced from PubChem (CID 168905204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).