3-[4-(ethylamino)-2-methylphenyl]chromen-2-one

C18H17NO2 — CID 91688943

IUPAC3-[4-(ethylamino)-2-methylphenyl]chromen-2-one
SMILESCCNc1ccc(-c2cc3ccccc3oc2=O)c(C)c1
InChIInChI=1S/C18H17NO2/c1-3-19-14-8-9-15(12(2)10-14)16-11-13-6-4-5-7-17(13)21-18(16)20/h4-11,19H,3H2,1-2H3
InChIKeyVHXNDKCGPKWQDY-UHFFFAOYSA-N
MW279.34 g/mol
LogP4.20
Rot. Bonds3

About 3-[4-(ethylamino)-2-methylphenyl]chromen-2-one

3-[4-(ethylamino)-2-methylphenyl]chromen-2-one (PubChem CID 91688943) has the molecular formula C18H17NO2 and a molecular weight of 279.34 g/mol. Its IUPAC name is 3-[4-(ethylamino)-2-methylphenyl]chromen-2-one.

Molecular Properties

Compound Name3-[4-(ethylamino)-2-methylphenyl]chromen-2-one
PubChem CID91688943
Molecular FormulaC18H17NO2
Molecular Weight279.34 g/mol
Exact Mass279.13
IUPAC Name3-[4-(ethylamino)-2-methylphenyl]chromen-2-one
SMILESCCNc1ccc(-c2cc3ccccc3oc2=O)c(C)c1
InChIInChI=1S/C18H17NO2/c1-3-19-14-8-9-15(12(2)10-14)16-11-13-6-4-5-7-17(13)21-18(16)20/h4-11,19H,3H2,1-2H3
InChIKeyVHXNDKCGPKWQDY-UHFFFAOYSA-N
XLogP4.20
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[5-(ethylamino)-2-fluorophenyl]chromen-2-one
CID 91688920
2-methyl-N-[3-methyl-4-(2-oxochromen-3-yl)phenyl]-2-phenoxypropanamide
CID 30309342
3-(2-methyl-4-pyrrol-1-ylphenyl)chromen-2-one
CID 91677414
N-hydroxy-2-methyl-5-[[3-methyl-4-(2-oxochromen-3-yl)phenyl]carbamoyl]benzeneamine oxide
CID 163122610
4-(1-benzofuran-2-yl)-N-ethylaniline
CID 54143610
N-[3-chloro-4-(2-oxochromen-3-yl)phenyl]hexanamide
CID 4562851
2-(4-chloro-3-methylphenoxy)-N-[3-chloro-4-(2-oxochromen-3-yl)phenyl]acetamide
CID 4212244
3-(2-hydroxyphenyl)chromen-2-one
CID 819892
(E)-3-(4-chloro-3-nitrophenyl)-N-[3-methyl-4-(2-oxochromen-3-yl)phenyl]prop-2-enamide
CID 17111521
N-[3-chloro-4-(2-oxochromen-3-yl)phenyl]benzamide
CID 3356833
2-chloro-N-[3-chloro-4-(2-oxochromen-3-yl)phenyl]benzamide
CID 3915161
(E)-3-[5-(2,4-dichlorophenyl)furan-2-yl]-N-[[3-methyl-4-(2-oxochromen-3-yl)phenyl]carbamothioyl]prop-2-enamide
CID 17317254

Frequently Asked Questions

What is the IUPAC name of 3-[4-(ethylamino)-2-methylphenyl]chromen-2-one?
The IUPAC name of 3-[4-(ethylamino)-2-methylphenyl]chromen-2-one (CID 91688943) is 3-[4-(ethylamino)-2-methylphenyl]chromen-2-one.
What is the SMILES notation for 3-[4-(ethylamino)-2-methylphenyl]chromen-2-one?
The canonical SMILES for 3-[4-(ethylamino)-2-methylphenyl]chromen-2-one is CCNc1ccc(-c2cc3ccccc3oc2=O)c(C)c1.
What is the InChIKey of 3-[4-(ethylamino)-2-methylphenyl]chromen-2-one?
The InChIKey is VHXNDKCGPKWQDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO2/c1-3-19-14-8-9-15(12(2)10-14)16-11-13-6-4-5-7-17(13)21-18(16)20/h4-11,19H,3H2,1-2H3.
What are the key properties of 3-[4-(ethylamino)-2-methylphenyl]chromen-2-one?
3-[4-(ethylamino)-2-methylphenyl]chromen-2-one has a molecular weight of 279.34 g/mol, XLogP of 4.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(ethylamino)-2-methylphenyl]chromen-2-one is sourced from PubChem (CID 91688943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).