4-methoxy-N-(3-methoxy-2-methylpropyl)-2-(trifluoromethyl)aniline

C13H18F3NO2 — CID 116500897

IUPAC4-methoxy-N-(3-methoxy-2-methylpropyl)-2-(trifluoromethyl)aniline
SMILESCOCC(C)CNc1ccc(OC)cc1C(F)(F)F
InChIInChI=1S/C13H18F3NO2/c1-9(8-18-2)7-17-12-5-4-10(19-3)6-11(12)13(14,15)16/h4-6,9,17H,7-8H2,1-3H3
InChIKeyWUUAVOZOFZVPDM-UHFFFAOYSA-N
MW277.29 g/mol
LogP3.41
Rot. Bonds6

About 4-methoxy-N-(3-methoxy-2-methylpropyl)-2-(trifluoromethyl)aniline

4-methoxy-N-(3-methoxy-2-methylpropyl)-2-(trifluoromethyl)aniline (PubChem CID 116500897) has the molecular formula C13H18F3NO2 and a molecular weight of 277.29 g/mol. Its IUPAC name is 4-methoxy-N-(3-methoxy-2-methylpropyl)-2-(trifluoromethyl)aniline.

Molecular Properties

Compound Name4-methoxy-N-(3-methoxy-2-methylpropyl)-2-(trifluoromethyl)aniline
PubChem CID116500897
Molecular FormulaC13H18F3NO2
Molecular Weight277.29 g/mol
Exact Mass277.13
IUPAC Name4-methoxy-N-(3-methoxy-2-methylpropyl)-2-(trifluoromethyl)aniline
SMILESCOCC(C)CNc1ccc(OC)cc1C(F)(F)F
InChIInChI=1S/C13H18F3NO2/c1-9(8-18-2)7-17-12-5-4-10(19-3)6-11(12)13(14,15)16/h4-6,9,17H,7-8H2,1-3H3
InChIKeyWUUAVOZOFZVPDM-UHFFFAOYSA-N
XLogP3.41
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.29
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-ethylbutyl)-4-methoxy-2-(trifluoromethyl)aniline
CID 43678119
4-methoxy-N-(3-methoxy-2-methylpropyl)-2-methylaniline
CID 116501292
2-bromo-5-methoxy-N-(3-methoxy-2-methylpropyl)aniline
CID 116501353
2-N-[4-methoxy-2-(trifluoromethyl)phenyl]propane-1,2-diamine
CID 103388027
methyl 2-[4-methoxy-2-(trifluoromethyl)anilino]propanoate
CID 66173707
1-(2-methoxyethyl)-3-[4-methoxy-2-(trifluoromethyl)phenyl]urea
CID 47223994
N-(2-methylpropyl)-4-propan-2-yl-2-(trifluoromethyl)aniline
CID 53403796
5-amino-N-[4-methoxy-2-(trifluoromethyl)phenyl]-4-methylpentanamide
CID 82013444
2-chloro-N-(3-methoxy-2-methylpropyl)-4-methylaniline
CID 116500841
1-(2-fluoro-4-methoxyanilino)propan-2-ol
CID 82539782
N-(3-methoxy-2-methylpropyl)-3-(trifluoromethyl)aniline
CID 116500690
3-chloro-N-[4-methoxy-2-(trifluoromethyl)phenyl]-2,2-dimethylpropanamide
CID 63679600

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-(3-methoxy-2-methylpropyl)-2-(trifluoromethyl)aniline?
The IUPAC name of 4-methoxy-N-(3-methoxy-2-methylpropyl)-2-(trifluoromethyl)aniline (CID 116500897) is 4-methoxy-N-(3-methoxy-2-methylpropyl)-2-(trifluoromethyl)aniline.
What is the SMILES notation for 4-methoxy-N-(3-methoxy-2-methylpropyl)-2-(trifluoromethyl)aniline?
The canonical SMILES for 4-methoxy-N-(3-methoxy-2-methylpropyl)-2-(trifluoromethyl)aniline is COCC(C)CNc1ccc(OC)cc1C(F)(F)F.
What is the InChIKey of 4-methoxy-N-(3-methoxy-2-methylpropyl)-2-(trifluoromethyl)aniline?
The InChIKey is WUUAVOZOFZVPDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3NO2/c1-9(8-18-2)7-17-12-5-4-10(19-3)6-11(12)13(14,15)16/h4-6,9,17H,7-8H2,1-3H3.
What are the key properties of 4-methoxy-N-(3-methoxy-2-methylpropyl)-2-(trifluoromethyl)aniline?
4-methoxy-N-(3-methoxy-2-methylpropyl)-2-(trifluoromethyl)aniline has a molecular weight of 277.29 g/mol, XLogP of 3.41, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-(3-methoxy-2-methylpropyl)-2-(trifluoromethyl)aniline is sourced from PubChem (CID 116500897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).