6-amino-2-[4-(dimethylamino)phenyl]chromen-4-one

C17H16N2O2 — CID 10755200

IUPAC6-amino-2-[4-(dimethylamino)phenyl]chromen-4-one
SMILESCN(C)c1ccc(-c2cc(=O)c3cc(N)ccc3o2)cc1
InChIInChI=1S/C17H16N2O2/c1-19(2)13-6-3-11(4-7-13)17-10-15(20)14-9-12(18)5-8-16(14)21-17/h3-10H,18H2,1-2H3
InChIKeyZHMNPBWUAURQPN-UHFFFAOYSA-N
MW280.33 g/mol
LogP3.11
Rot. Bonds2

About 6-amino-2-[4-(dimethylamino)phenyl]chromen-4-one

6-amino-2-[4-(dimethylamino)phenyl]chromen-4-one (PubChem CID 10755200) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is 6-amino-2-[4-(dimethylamino)phenyl]chromen-4-one.

Molecular Properties

Compound Name6-amino-2-[4-(dimethylamino)phenyl]chromen-4-one
PubChem CID10755200
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC Name6-amino-2-[4-(dimethylamino)phenyl]chromen-4-one
SMILESCN(C)c1ccc(-c2cc(=O)c3cc(N)ccc3o2)cc1
InChIInChI=1S/C17H16N2O2/c1-19(2)13-6-3-11(4-7-13)17-10-15(20)14-9-12(18)5-8-16(14)21-17/h3-10H,18H2,1-2H3
InChIKeyZHMNPBWUAURQPN-UHFFFAOYSA-N
XLogP3.11
TPSA59.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-amino-2-[4-(dimethylamino)phenyl]chromen-4-one?
The IUPAC name of 6-amino-2-[4-(dimethylamino)phenyl]chromen-4-one (CID 10755200) is 6-amino-2-[4-(dimethylamino)phenyl]chromen-4-one.
What is the SMILES notation for 6-amino-2-[4-(dimethylamino)phenyl]chromen-4-one?
The canonical SMILES for 6-amino-2-[4-(dimethylamino)phenyl]chromen-4-one is CN(C)c1ccc(-c2cc(=O)c3cc(N)ccc3o2)cc1.
What is the InChIKey of 6-amino-2-[4-(dimethylamino)phenyl]chromen-4-one?
The InChIKey is ZHMNPBWUAURQPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2/c1-19(2)13-6-3-11(4-7-13)17-10-15(20)14-9-12(18)5-8-16(14)21-17/h3-10H,18H2,1-2H3.
What are the key properties of 6-amino-2-[4-(dimethylamino)phenyl]chromen-4-one?
6-amino-2-[4-(dimethylamino)phenyl]chromen-4-one has a molecular weight of 280.33 g/mol, XLogP of 3.11, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-[4-(dimethylamino)phenyl]chromen-4-one is sourced from PubChem (CID 10755200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).