4-[[(4-fluorophenyl)methyl-(2-methoxyethyl)amino]methyl]-6,8-dimethylchromen-2-one

C22H24FNO3 — CID 46269058

IUPAC4-[[(4-fluorophenyl)methyl-(2-methoxyethyl)amino]methyl]-6,8-dimethylchromen-2-one
SMILESCOCCN(Cc1ccc(F)cc1)Cc1cc(=O)oc2c(C)cc(C)cc12
InChIInChI=1S/C22H24FNO3/c1-15-10-16(2)22-20(11-15)18(12-21(25)27-22)14-24(8-9-26-3)13-17-4-6-19(23)7-5-17/h4-7,10-12H,8-9,13-14H2,1-3H3
InChIKeyGCAUALXCADGEHI-UHFFFAOYSA-N
MW369.44 g/mol
LogP4.20
Rot. Bonds7

About 4-[[(4-fluorophenyl)methyl-(2-methoxyethyl)amino]methyl]-6,8-dimethylchromen-2-one

4-[[(4-fluorophenyl)methyl-(2-methoxyethyl)amino]methyl]-6,8-dimethylchromen-2-one (PubChem CID 46269058) has the molecular formula C22H24FNO3 and a molecular weight of 369.44 g/mol. Its IUPAC name is 4-[[(4-fluorophenyl)methyl-(2-methoxyethyl)amino]methyl]-6,8-dimethylchromen-2-one.

Molecular Properties

Compound Name4-[[(4-fluorophenyl)methyl-(2-methoxyethyl)amino]methyl]-6,8-dimethylchromen-2-one
PubChem CID46269058
Molecular FormulaC22H24FNO3
Molecular Weight369.44 g/mol
Exact Mass369.17
IUPAC Name4-[[(4-fluorophenyl)methyl-(2-methoxyethyl)amino]methyl]-6,8-dimethylchromen-2-one
SMILESCOCCN(Cc1ccc(F)cc1)Cc1cc(=O)oc2c(C)cc(C)cc12
InChIInChI=1S/C22H24FNO3/c1-15-10-16(2)22-20(11-15)18(12-21(25)27-22)14-24(8-9-26-3)13-17-4-6-19(23)7-5-17/h4-7,10-12H,8-9,13-14H2,1-3H3
InChIKeyGCAUALXCADGEHI-UHFFFAOYSA-N
XLogP4.20
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.44
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[[(4-fluorophenyl)methyl-(2-methoxyethyl)amino]methyl]-6,8-dimethylchromen-2-one?
The IUPAC name of 4-[[(4-fluorophenyl)methyl-(2-methoxyethyl)amino]methyl]-6,8-dimethylchromen-2-one (CID 46269058) is 4-[[(4-fluorophenyl)methyl-(2-methoxyethyl)amino]methyl]-6,8-dimethylchromen-2-one.
What is the SMILES notation for 4-[[(4-fluorophenyl)methyl-(2-methoxyethyl)amino]methyl]-6,8-dimethylchromen-2-one?
The canonical SMILES for 4-[[(4-fluorophenyl)methyl-(2-methoxyethyl)amino]methyl]-6,8-dimethylchromen-2-one is COCCN(Cc1ccc(F)cc1)Cc1cc(=O)oc2c(C)cc(C)cc12.
What is the InChIKey of 4-[[(4-fluorophenyl)methyl-(2-methoxyethyl)amino]methyl]-6,8-dimethylchromen-2-one?
The InChIKey is GCAUALXCADGEHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FNO3/c1-15-10-16(2)22-20(11-15)18(12-21(25)27-22)14-24(8-9-26-3)13-17-4-6-19(23)7-5-17/h4-7,10-12H,8-9,13-14H2,1-3H3.
What are the key properties of 4-[[(4-fluorophenyl)methyl-(2-methoxyethyl)amino]methyl]-6,8-dimethylchromen-2-one?
4-[[(4-fluorophenyl)methyl-(2-methoxyethyl)amino]methyl]-6,8-dimethylchromen-2-one has a molecular weight of 369.44 g/mol, XLogP of 4.20, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(4-fluorophenyl)methyl-(2-methoxyethyl)amino]methyl]-6,8-dimethylchromen-2-one is sourced from PubChem (CID 46269058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).