5-[4-(difluoromethyl)phenoxy]-2-methoxyaniline

C14H13F2NO2 — CID 166073803

IUPAC5-[4-(difluoromethyl)phenoxy]-2-methoxyaniline
SMILESCOc1ccc(Oc2ccc(C(F)F)cc2)cc1N
InChIInChI=1S/C14H13F2NO2/c1-18-13-7-6-11(8-12(13)17)19-10-4-2-9(3-5-10)14(15)16/h2-8,14H,17H2,1H3
InChIKeyGZCCAODTYGOLOQ-UHFFFAOYSA-N
MW265.26 g/mol
LogP4.01
Rot. Bonds4

About 5-[4-(difluoromethyl)phenoxy]-2-methoxyaniline

5-[4-(difluoromethyl)phenoxy]-2-methoxyaniline (PubChem CID 166073803) has the molecular formula C14H13F2NO2 and a molecular weight of 265.26 g/mol. Its IUPAC name is 5-[4-(difluoromethyl)phenoxy]-2-methoxyaniline.

Molecular Properties

Compound Name5-[4-(difluoromethyl)phenoxy]-2-methoxyaniline
PubChem CID166073803
Molecular FormulaC14H13F2NO2
Molecular Weight265.26 g/mol
Exact Mass265.09
IUPAC Name5-[4-(difluoromethyl)phenoxy]-2-methoxyaniline
SMILESCOc1ccc(Oc2ccc(C(F)F)cc2)cc1N
InChIInChI=1S/C14H13F2NO2/c1-18-13-7-6-11(8-12(13)17)19-10-4-2-9(3-5-10)14(15)16/h2-8,14H,17H2,1H3
InChIKeyGZCCAODTYGOLOQ-UHFFFAOYSA-N
XLogP4.01
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.26
LogP ≤ 54.01
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

2-methoxy-5-(4-propan-2-yloxyphenoxy)aniline
CID 166073807
5-(3-fluorophenoxy)-2-methoxyaniline
CID 166073866
4-[4-[1-[4-(4-amino-3-methoxyphenoxy)phenyl]ethyl]phenoxy]-2-methoxyaniline
CID 139713080
2,5-dimethoxyaniline;molecular hydrogen
CID 159599481
2-methoxy-5-propan-2-yloxyaniline
CID 10081024
(3-amino-4-methoxyphenyl)-(4-methoxyphenyl)methanol
CID 91678444
4,5-dimethoxy-2-(4-propan-2-ylphenoxy)aniline
CID 83005064
4-[4-[1-[4-(4-aminophenoxy)phenyl]ethyl]phenoxy]-2-methoxyaniline
CID 139712997
(1S,2S)-1-amino-1-(3-amino-4-methoxyphenyl)propan-2-ol
CID 55269885
(1R,2S)-1-amino-1-(3-amino-4-methoxyphenyl)propan-2-ol
CID 55269657
2-(3-amino-4-methoxyphenoxy)propanenitrile
CID 103201436
5-(difluoromethyl)-2-ethoxyaniline
CID 130524156

Frequently Asked Questions

What is the IUPAC name of 5-[4-(difluoromethyl)phenoxy]-2-methoxyaniline?
The IUPAC name of 5-[4-(difluoromethyl)phenoxy]-2-methoxyaniline (CID 166073803) is 5-[4-(difluoromethyl)phenoxy]-2-methoxyaniline.
What is the SMILES notation for 5-[4-(difluoromethyl)phenoxy]-2-methoxyaniline?
The canonical SMILES for 5-[4-(difluoromethyl)phenoxy]-2-methoxyaniline is COc1ccc(Oc2ccc(C(F)F)cc2)cc1N.
What is the InChIKey of 5-[4-(difluoromethyl)phenoxy]-2-methoxyaniline?
The InChIKey is GZCCAODTYGOLOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F2NO2/c1-18-13-7-6-11(8-12(13)17)19-10-4-2-9(3-5-10)14(15)16/h2-8,14H,17H2,1H3.
What are the key properties of 5-[4-(difluoromethyl)phenoxy]-2-methoxyaniline?
5-[4-(difluoromethyl)phenoxy]-2-methoxyaniline has a molecular weight of 265.26 g/mol, XLogP of 4.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(difluoromethyl)phenoxy]-2-methoxyaniline is sourced from PubChem (CID 166073803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).