3-(difluoromethyl)-4-(2,5-dimethylphenoxy)aniline

C15H15F2NO — CID 63735666

IUPAC3-(difluoromethyl)-4-(2,5-dimethylphenoxy)aniline
SMILESCc1ccc(C)c(Oc2ccc(N)cc2C(F)F)c1
InChIInChI=1S/C15H15F2NO/c1-9-3-4-10(2)14(7-9)19-13-6-5-11(18)8-12(13)15(16)17/h3-8,15H,18H2,1-2H3
InChIKeyNHHNYICESYBVPG-UHFFFAOYSA-N
MW263.29 g/mol
LogP4.62
Rot. Bonds3

About 3-(difluoromethyl)-4-(2,5-dimethylphenoxy)aniline

3-(difluoromethyl)-4-(2,5-dimethylphenoxy)aniline (PubChem CID 63735666) has the molecular formula C15H15F2NO and a molecular weight of 263.29 g/mol. Its IUPAC name is 3-(difluoromethyl)-4-(2,5-dimethylphenoxy)aniline.

Molecular Properties

Compound Name3-(difluoromethyl)-4-(2,5-dimethylphenoxy)aniline
PubChem CID63735666
Molecular FormulaC15H15F2NO
Molecular Weight263.29 g/mol
Exact Mass263.11
IUPAC Name3-(difluoromethyl)-4-(2,5-dimethylphenoxy)aniline
SMILESCc1ccc(C)c(Oc2ccc(N)cc2C(F)F)c1
InChIInChI=1S/C15H15F2NO/c1-9-3-4-10(2)14(7-9)19-13-6-5-11(18)8-12(13)15(16)17/h3-8,15H,18H2,1-2H3
InChIKeyNHHNYICESYBVPG-UHFFFAOYSA-N
XLogP4.62
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 54.62
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

5-amino-2-(2,5-dimethylphenoxy)benzamide
CID 61306658
3-(difluoromethyl)-4-(2-methylsulfanylphenoxy)aniline
CID 63735003
4-[4-amino-2-(difluoromethyl)phenoxy]-3,5-dimethylbenzonitrile
CID 65455245
3-(difluoromethyl)-4-(4-ethoxyphenoxy)aniline
CID 63736549
4-(3-chloro-2-fluorophenoxy)-3-(difluoromethyl)aniline
CID 116688566
3-(difluoromethyl)-4-[2-(trifluoromethyl)phenoxy]aniline
CID 63735664
2-(difluoromethyl)-1-N-(2,4-dimethylphenyl)benzene-1,4-diamine
CID 55231380
2-(2,5-dimethylphenoxy)-5-fluorobenzenecarbothioamide
CID 63674918
1-[5-bromo-2-(2,5-dimethylphenoxy)phenyl]ethanol
CID 82970526
2-(2,5-dimethylphenoxy)-6-fluoroaniline
CID 54920394
1,4-bis(2,5-dimethylphenoxy)-2-methylbenzene
CID 160687040
4-(2,4-dimethylphenoxy)-3-iodoaniline
CID 66094612

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-4-(2,5-dimethylphenoxy)aniline?
The IUPAC name of 3-(difluoromethyl)-4-(2,5-dimethylphenoxy)aniline (CID 63735666) is 3-(difluoromethyl)-4-(2,5-dimethylphenoxy)aniline.
What is the SMILES notation for 3-(difluoromethyl)-4-(2,5-dimethylphenoxy)aniline?
The canonical SMILES for 3-(difluoromethyl)-4-(2,5-dimethylphenoxy)aniline is Cc1ccc(C)c(Oc2ccc(N)cc2C(F)F)c1.
What is the InChIKey of 3-(difluoromethyl)-4-(2,5-dimethylphenoxy)aniline?
The InChIKey is NHHNYICESYBVPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2NO/c1-9-3-4-10(2)14(7-9)19-13-6-5-11(18)8-12(13)15(16)17/h3-8,15H,18H2,1-2H3.
What are the key properties of 3-(difluoromethyl)-4-(2,5-dimethylphenoxy)aniline?
3-(difluoromethyl)-4-(2,5-dimethylphenoxy)aniline has a molecular weight of 263.29 g/mol, XLogP of 4.62, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-4-(2,5-dimethylphenoxy)aniline is sourced from PubChem (CID 63735666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).