2-[(3,4-difluorophenyl)methoxy]-4-methylaniline

C14H13F2NO — CID 82918739

IUPAC2-[(3,4-difluorophenyl)methoxy]-4-methylaniline
SMILESCc1ccc(N)c(OCc2ccc(F)c(F)c2)c1
InChIInChI=1S/C14H13F2NO/c1-9-2-5-13(17)14(6-9)18-8-10-3-4-11(15)12(16)7-10/h2-7H,8,17H2,1H3
InChIKeyWNTSIWGICLGUSS-UHFFFAOYSA-N
MW249.26 g/mol
LogP3.43
Rot. Bonds3

About 2-[(3,4-difluorophenyl)methoxy]-4-methylaniline

2-[(3,4-difluorophenyl)methoxy]-4-methylaniline (PubChem CID 82918739) has the molecular formula C14H13F2NO and a molecular weight of 249.26 g/mol. Its IUPAC name is 2-[(3,4-difluorophenyl)methoxy]-4-methylaniline.

Molecular Properties

Compound Name2-[(3,4-difluorophenyl)methoxy]-4-methylaniline
PubChem CID82918739
Molecular FormulaC14H13F2NO
Molecular Weight249.26 g/mol
Exact Mass249.10
IUPAC Name2-[(3,4-difluorophenyl)methoxy]-4-methylaniline
SMILESCc1ccc(N)c(OCc2ccc(F)c(F)c2)c1
InChIInChI=1S/C14H13F2NO/c1-9-2-5-13(17)14(6-9)18-8-10-3-4-11(15)12(16)7-10/h2-7H,8,17H2,1H3
InChIKeyWNTSIWGICLGUSS-UHFFFAOYSA-N
XLogP3.43
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.26
LogP ≤ 53.43
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

(1S)-1-[2-[(3,4-difluorophenyl)methoxy]-4-methylphenyl]ethanol
CID 82919064
2-(fluoromethoxy)-4-methylaniline
CID 123529275
5-bromo-2-[(3,4-difluorophenyl)methoxy]aniline
CID 82918529
5-[(2-amino-4-methylphenoxy)methyl]-2-fluorobenzonitrile
CID 107878012
3-[(2-amino-5-methylphenoxy)methyl]benzonitrile
CID 24706881
2-fluoro-5-[(2-fluoro-5-methylphenoxy)methyl]benzonitrile
CID 103758922
1,2-difluoro-4-[(2-fluorophenoxy)methyl]benzene
CID 78846462
3-[(3,4-difluorophenyl)methoxy]pyridin-2-amine
CID 10331655
5-[(2,5-dimethylphenoxy)methyl]-2-fluorobenzonitrile
CID 103758788
5-chloro-2-[(4-methylphenyl)methoxy]aniline
CID 19624539
2-[(2-chloro-4-methylphenyl)methoxy]-4-methylaniline
CID 106861414
4-methyl-2-propoxyaniline
CID 24698653

Frequently Asked Questions

What is the IUPAC name of 2-[(3,4-difluorophenyl)methoxy]-4-methylaniline?
The IUPAC name of 2-[(3,4-difluorophenyl)methoxy]-4-methylaniline (CID 82918739) is 2-[(3,4-difluorophenyl)methoxy]-4-methylaniline.
What is the SMILES notation for 2-[(3,4-difluorophenyl)methoxy]-4-methylaniline?
The canonical SMILES for 2-[(3,4-difluorophenyl)methoxy]-4-methylaniline is Cc1ccc(N)c(OCc2ccc(F)c(F)c2)c1.
What is the InChIKey of 2-[(3,4-difluorophenyl)methoxy]-4-methylaniline?
The InChIKey is WNTSIWGICLGUSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F2NO/c1-9-2-5-13(17)14(6-9)18-8-10-3-4-11(15)12(16)7-10/h2-7H,8,17H2,1H3.
What are the key properties of 2-[(3,4-difluorophenyl)methoxy]-4-methylaniline?
2-[(3,4-difluorophenyl)methoxy]-4-methylaniline has a molecular weight of 249.26 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,4-difluorophenyl)methoxy]-4-methylaniline is sourced from PubChem (CID 82918739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).