3-amino-4-(2-phenylethylamino)chromen-2-one

C17H16N2O2 — CID 746603

IUPAC3-amino-4-(2-phenylethylamino)chromen-2-one
SMILESNc1c(NCCc2ccccc2)c2ccccc2oc1=O
InChIInChI=1S/C17H16N2O2/c18-15-16(19-11-10-12-6-2-1-3-7-12)13-8-4-5-9-14(13)21-17(15)20/h1-9,19H,10-11,18H2
InChIKeyRCDGIBAZGMGOCN-UHFFFAOYSA-N
MW280.33 g/mol
LogP3.03
Rot. Bonds4

About 3-amino-4-(2-phenylethylamino)chromen-2-one

3-amino-4-(2-phenylethylamino)chromen-2-one (PubChem CID 746603) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is 3-amino-4-(2-phenylethylamino)chromen-2-one.

Molecular Properties

Compound Name3-amino-4-(2-phenylethylamino)chromen-2-one
PubChem CID746603
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC Name3-amino-4-(2-phenylethylamino)chromen-2-one
SMILESNc1c(NCCc2ccccc2)c2ccccc2oc1=O
InChIInChI=1S/C17H16N2O2/c18-15-16(19-11-10-12-6-2-1-3-7-12)13-8-4-5-9-14(13)21-17(15)20/h1-9,19H,10-11,18H2
InChIKeyRCDGIBAZGMGOCN-UHFFFAOYSA-N
XLogP3.03
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 53.03
H-Bond Donors ≤ 52
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 3-amino-4-(2-phenylethylamino)chromen-2-one?
The IUPAC name of 3-amino-4-(2-phenylethylamino)chromen-2-one (CID 746603) is 3-amino-4-(2-phenylethylamino)chromen-2-one.
What is the SMILES notation for 3-amino-4-(2-phenylethylamino)chromen-2-one?
The canonical SMILES for 3-amino-4-(2-phenylethylamino)chromen-2-one is Nc1c(NCCc2ccccc2)c2ccccc2oc1=O.
What is the InChIKey of 3-amino-4-(2-phenylethylamino)chromen-2-one?
The InChIKey is RCDGIBAZGMGOCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2/c18-15-16(19-11-10-12-6-2-1-3-7-12)13-8-4-5-9-14(13)21-17(15)20/h1-9,19H,10-11,18H2.
What are the key properties of 3-amino-4-(2-phenylethylamino)chromen-2-one?
3-amino-4-(2-phenylethylamino)chromen-2-one has a molecular weight of 280.33 g/mol, XLogP of 3.03, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-(2-phenylethylamino)chromen-2-one is sourced from PubChem (CID 746603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).