4-(3,4-dimethoxyphenyl)-2,6-difluoroaniline

C14H13F2NO2 — CID 66997257

IUPAC4-(3,4-dimethoxyphenyl)-2,6-difluoroaniline
SMILESCOc1ccc(-c2cc(F)c(N)c(F)c2)cc1OC
InChIInChI=1S/C14H13F2NO2/c1-18-12-4-3-8(7-13(12)19-2)9-5-10(15)14(17)11(16)6-9/h3-7H,17H2,1-2H3
InChIKeyNQTVTCAIPCPVDU-UHFFFAOYSA-N
MW265.26 g/mol
LogP3.23
Rot. Bonds3

About 4-(3,4-dimethoxyphenyl)-2,6-difluoroaniline

4-(3,4-dimethoxyphenyl)-2,6-difluoroaniline (PubChem CID 66997257) has the molecular formula C14H13F2NO2 and a molecular weight of 265.26 g/mol. Its IUPAC name is 4-(3,4-dimethoxyphenyl)-2,6-difluoroaniline.

Molecular Properties

Compound Name4-(3,4-dimethoxyphenyl)-2,6-difluoroaniline
PubChem CID66997257
Molecular FormulaC14H13F2NO2
Molecular Weight265.26 g/mol
Exact Mass265.09
IUPAC Name4-(3,4-dimethoxyphenyl)-2,6-difluoroaniline
SMILESCOc1ccc(-c2cc(F)c(N)c(F)c2)cc1OC
InChIInChI=1S/C14H13F2NO2/c1-18-12-4-3-8(7-13(12)19-2)9-5-10(15)14(17)11(16)6-9/h3-7H,17H2,1-2H3
InChIKeyNQTVTCAIPCPVDU-UHFFFAOYSA-N
XLogP3.23
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.26
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dimethoxyphenyl)-2,6-difluoroaniline?
The IUPAC name of 4-(3,4-dimethoxyphenyl)-2,6-difluoroaniline (CID 66997257) is 4-(3,4-dimethoxyphenyl)-2,6-difluoroaniline.
What is the SMILES notation for 4-(3,4-dimethoxyphenyl)-2,6-difluoroaniline?
The canonical SMILES for 4-(3,4-dimethoxyphenyl)-2,6-difluoroaniline is COc1ccc(-c2cc(F)c(N)c(F)c2)cc1OC.
What is the InChIKey of 4-(3,4-dimethoxyphenyl)-2,6-difluoroaniline?
The InChIKey is NQTVTCAIPCPVDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F2NO2/c1-18-12-4-3-8(7-13(12)19-2)9-5-10(15)14(17)11(16)6-9/h3-7H,17H2,1-2H3.
What are the key properties of 4-(3,4-dimethoxyphenyl)-2,6-difluoroaniline?
4-(3,4-dimethoxyphenyl)-2,6-difluoroaniline has a molecular weight of 265.26 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dimethoxyphenyl)-2,6-difluoroaniline is sourced from PubChem (CID 66997257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).