4-methoxy-2-(trifluoromethyl)aniline

C8H8F3NO — CID 22601721

IUPAC4-methoxy-2-(trifluoromethyl)aniline
SMILESCOc1ccc(N)c(C(F)(F)F)c1
InChIInChI=1S/C8H8F3NO/c1-13-5-2-3-7(12)6(4-5)8(9,10)11/h2-4H,12H2,1H3
InChIKeyBTRQZDUCUGJMPS-UHFFFAOYSA-N
MW191.15 g/mol
LogP2.30
Rot. Bonds1

About 4-methoxy-2-(trifluoromethyl)aniline

4-methoxy-2-(trifluoromethyl)aniline (PubChem CID 22601721) has the molecular formula C8H8F3NO and a molecular weight of 191.15 g/mol. Its IUPAC name is 4-methoxy-2-(trifluoromethyl)aniline.

Molecular Properties

Compound Name4-methoxy-2-(trifluoromethyl)aniline
PubChem CID22601721
Molecular FormulaC8H8F3NO
Molecular Weight191.15 g/mol
Exact Mass191.06
IUPAC Name4-methoxy-2-(trifluoromethyl)aniline
SMILESCOc1ccc(N)c(C(F)(F)F)c1
InChIInChI=1S/C8H8F3NO/c1-13-5-2-3-7(12)6(4-5)8(9,10)11/h2-4H,12H2,1H3
InChIKeyBTRQZDUCUGJMPS-UHFFFAOYSA-N
XLogP2.30
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.15
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(3-methoxyphenoxy)-2-(trifluoromethyl)aniline
CID 26189930
3-(2-amino-5-methoxyphenyl)pentan-3-ol
CID 67269604
4-(3-bromo-4-fluorophenoxy)-2-(trifluoromethyl)aniline
CID 83232506
2-[4-methoxy-2-(trifluoromethyl)phenyl]propan-2-amine
CID 117337731
[4-amino-3-(trifluoromethyl)phenyl] methanesulfonate
CID 121271151
4-(4-methylsulfanylphenoxy)-2-(trifluoromethyl)aniline
CID 63647439
N-[4-amino-3-(trifluoromethyl)phenyl]-4-methoxybenzamide
CID 16770362
4-methoxy-1-propan-2-yl-2-(trifluoromethyl)benzene
CID 20755055
4-[2-(dimethylamino)-2-methylpropoxy]-2-(trifluoromethyl)aniline
CID 79679748
4-(2-bromoethoxy)-2-(trifluoromethyl)aniline
CID 168997372
2-fluoro-4-methoxyaniline
CID 3756383
4-methyl-2-(trifluoromethyl)aniline
CID 2737710

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-(trifluoromethyl)aniline?
The IUPAC name of 4-methoxy-2-(trifluoromethyl)aniline (CID 22601721) is 4-methoxy-2-(trifluoromethyl)aniline.
What is the SMILES notation for 4-methoxy-2-(trifluoromethyl)aniline?
The canonical SMILES for 4-methoxy-2-(trifluoromethyl)aniline is COc1ccc(N)c(C(F)(F)F)c1.
What is the InChIKey of 4-methoxy-2-(trifluoromethyl)aniline?
The InChIKey is BTRQZDUCUGJMPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3NO/c1-13-5-2-3-7(12)6(4-5)8(9,10)11/h2-4H,12H2,1H3.
What are the key properties of 4-methoxy-2-(trifluoromethyl)aniline?
4-methoxy-2-(trifluoromethyl)aniline has a molecular weight of 191.15 g/mol, XLogP of 2.30, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-(trifluoromethyl)aniline is sourced from PubChem (CID 22601721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).