4-[4-(dimethylamino)phenyl]-2-fluoro-6-methoxyaniline

C15H17FN2O — CID 174997411

IUPAC4-[4-(dimethylamino)phenyl]-2-fluoro-6-methoxyaniline
SMILESCOc1cc(-c2ccc(N(C)C)cc2)cc(F)c1N
InChIInChI=1S/C15H17FN2O/c1-18(2)12-6-4-10(5-7-12)11-8-13(16)15(17)14(9-11)19-3/h4-9H,17H2,1-3H3
InChIKeyULFGPNHJGYVTNM-UHFFFAOYSA-N
MW260.31 g/mol
LogP3.15
Rot. Bonds3

About 4-[4-(dimethylamino)phenyl]-2-fluoro-6-methoxyaniline

4-[4-(dimethylamino)phenyl]-2-fluoro-6-methoxyaniline (PubChem CID 174997411) has the molecular formula C15H17FN2O and a molecular weight of 260.31 g/mol. Its IUPAC name is 4-[4-(dimethylamino)phenyl]-2-fluoro-6-methoxyaniline.

Molecular Properties

Compound Name4-[4-(dimethylamino)phenyl]-2-fluoro-6-methoxyaniline
PubChem CID174997411
Molecular FormulaC15H17FN2O
Molecular Weight260.31 g/mol
Exact Mass260.13
IUPAC Name4-[4-(dimethylamino)phenyl]-2-fluoro-6-methoxyaniline
SMILESCOc1cc(-c2ccc(N(C)C)cc2)cc(F)c1N
InChIInChI=1S/C15H17FN2O/c1-18(2)12-6-4-10(5-7-12)11-8-13(16)15(17)14(9-11)19-3/h4-9H,17H2,1-3H3
InChIKeyULFGPNHJGYVTNM-UHFFFAOYSA-N
XLogP3.15
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.31
LogP ≤ 53.15
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-[4-(dimethylamino)phenyl]-2-fluoro-6-methoxyaniline?
The IUPAC name of 4-[4-(dimethylamino)phenyl]-2-fluoro-6-methoxyaniline (CID 174997411) is 4-[4-(dimethylamino)phenyl]-2-fluoro-6-methoxyaniline.
What is the SMILES notation for 4-[4-(dimethylamino)phenyl]-2-fluoro-6-methoxyaniline?
The canonical SMILES for 4-[4-(dimethylamino)phenyl]-2-fluoro-6-methoxyaniline is COc1cc(-c2ccc(N(C)C)cc2)cc(F)c1N.
What is the InChIKey of 4-[4-(dimethylamino)phenyl]-2-fluoro-6-methoxyaniline?
The InChIKey is ULFGPNHJGYVTNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O/c1-18(2)12-6-4-10(5-7-12)11-8-13(16)15(17)14(9-11)19-3/h4-9H,17H2,1-3H3.
What are the key properties of 4-[4-(dimethylamino)phenyl]-2-fluoro-6-methoxyaniline?
4-[4-(dimethylamino)phenyl]-2-fluoro-6-methoxyaniline has a molecular weight of 260.31 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(dimethylamino)phenyl]-2-fluoro-6-methoxyaniline is sourced from PubChem (CID 174997411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).