2-[3-[2-(dimethylamino)ethanimidoyl]-4-(methylamino)phenyl]-5-fluorophenol

C17H20FN3O — CID 145222077

IUPAC2-[3-[2-(dimethylamino)ethanimidoyl]-4-(methylamino)phenyl]-5-fluorophenol
SMILES[H]/N=C(\CN(C)C)c1cc(-c2ccc(F)cc2O)ccc1NC
InChIInChI=1S/C17H20FN3O/c1-20-16-7-4-11(8-14(16)15(19)10-21(2)3)13-6-5-12(18)9-17(13)22/h4-9,19-20,22H,10H2,1-3H3/b19-15+
InChIKeyXTQGMWYCPIGIEI-XDJHFCHBSA-N
MW301.37 g/mol
LogP3.17
Rot. Bonds5

About 2-[3-[2-(dimethylamino)ethanimidoyl]-4-(methylamino)phenyl]-5-fluorophenol

2-[3-[2-(dimethylamino)ethanimidoyl]-4-(methylamino)phenyl]-5-fluorophenol (PubChem CID 145222077) has the molecular formula C17H20FN3O and a molecular weight of 301.37 g/mol. Its IUPAC name is 2-[3-[2-(dimethylamino)ethanimidoyl]-4-(methylamino)phenyl]-5-fluorophenol.

Molecular Properties

Compound Name2-[3-[2-(dimethylamino)ethanimidoyl]-4-(methylamino)phenyl]-5-fluorophenol
PubChem CID145222077
Molecular FormulaC17H20FN3O
Molecular Weight301.37 g/mol
Exact Mass301.16
IUPAC Name2-[3-[2-(dimethylamino)ethanimidoyl]-4-(methylamino)phenyl]-5-fluorophenol
SMILES[H]/N=C(\CN(C)C)c1cc(-c2ccc(F)cc2O)ccc1NC
InChIInChI=1S/C17H20FN3O/c1-20-16-7-4-11(8-14(16)15(19)10-21(2)3)13-6-5-12(18)9-17(13)22/h4-9,19-20,22H,10H2,1-3H3/b19-15+
InChIKeyXTQGMWYCPIGIEI-XDJHFCHBSA-N
XLogP3.17
TPSA59.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 53.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[2-(dimethylamino)ethanimidoyl]-4-(methylamino)phenyl]-5-fluorophenol?
The IUPAC name of 2-[3-[2-(dimethylamino)ethanimidoyl]-4-(methylamino)phenyl]-5-fluorophenol (CID 145222077) is 2-[3-[2-(dimethylamino)ethanimidoyl]-4-(methylamino)phenyl]-5-fluorophenol.
What is the SMILES notation for 2-[3-[2-(dimethylamino)ethanimidoyl]-4-(methylamino)phenyl]-5-fluorophenol?
The canonical SMILES for 2-[3-[2-(dimethylamino)ethanimidoyl]-4-(methylamino)phenyl]-5-fluorophenol is [H]/N=C(\CN(C)C)c1cc(-c2ccc(F)cc2O)ccc1NC.
What is the InChIKey of 2-[3-[2-(dimethylamino)ethanimidoyl]-4-(methylamino)phenyl]-5-fluorophenol?
The InChIKey is XTQGMWYCPIGIEI-XDJHFCHBSA-N. The full InChI is InChI=1S/C17H20FN3O/c1-20-16-7-4-11(8-14(16)15(19)10-21(2)3)13-6-5-12(18)9-17(13)22/h4-9,19-20,22H,10H2,1-3H3/b19-15+.
What are the key properties of 2-[3-[2-(dimethylamino)ethanimidoyl]-4-(methylamino)phenyl]-5-fluorophenol?
2-[3-[2-(dimethylamino)ethanimidoyl]-4-(methylamino)phenyl]-5-fluorophenol has a molecular weight of 301.37 g/mol, XLogP of 3.17, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[2-(dimethylamino)ethanimidoyl]-4-(methylamino)phenyl]-5-fluorophenol is sourced from PubChem (CID 145222077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).