6,7-dimethyl-4-[[(4-methylphenyl)methylamino]methyl]chromen-2-one

C20H21NO2 — CID 9256676

IUPAC6,7-dimethyl-4-[[(4-methylphenyl)methylamino]methyl]chromen-2-one
SMILESCc1ccc(CNCc2cc(=O)oc3cc(C)c(C)cc23)cc1
InChIInChI=1S/C20H21NO2/c1-13-4-6-16(7-5-13)11-21-12-17-10-20(22)23-19-9-15(3)14(2)8-18(17)19/h4-10,21H,11-12H2,1-3H3
InChIKeyVYTPTPFDDYVFGD-UHFFFAOYSA-N
MW307.39 g/mol
LogP4.01
Rot. Bonds4

About 6,7-dimethyl-4-[[(4-methylphenyl)methylamino]methyl]chromen-2-one

6,7-dimethyl-4-[[(4-methylphenyl)methylamino]methyl]chromen-2-one (PubChem CID 9256676) has the molecular formula C20H21NO2 and a molecular weight of 307.39 g/mol. Its IUPAC name is 6,7-dimethyl-4-[[(4-methylphenyl)methylamino]methyl]chromen-2-one.

Molecular Properties

Compound Name6,7-dimethyl-4-[[(4-methylphenyl)methylamino]methyl]chromen-2-one
PubChem CID9256676
Molecular FormulaC20H21NO2
Molecular Weight307.39 g/mol
Exact Mass307.16
IUPAC Name6,7-dimethyl-4-[[(4-methylphenyl)methylamino]methyl]chromen-2-one
SMILESCc1ccc(CNCc2cc(=O)oc3cc(C)c(C)cc23)cc1
InChIInChI=1S/C20H21NO2/c1-13-4-6-16(7-5-13)11-21-12-17-10-20(22)23-19-9-15(3)14(2)8-18(17)19/h4-10,21H,11-12H2,1-3H3
InChIKeyVYTPTPFDDYVFGD-UHFFFAOYSA-N
XLogP4.01
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 6,7-dimethyl-4-[[(4-methylphenyl)methylamino]methyl]chromen-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6,7-dimethyl-4-[[2-(4-methylphenoxy)ethylamino]methyl]chromen-2-one
CID 9256827
4-[(2-methoxy-5-methylanilino)methyl]-6,7-dimethylchromen-2-one
CID 9346800
N-[2-[(6,7-dimethyl-2-oxochromen-4-yl)methylamino]ethyl]acetamide
CID 9262867
6,7-dimethyl-4-[[[(2S)-2-phenylpropyl]amino]methyl]chromen-2-one
CID 9264108
4-[[2-(4-ethoxyphenoxy)ethylamino]methyl]-6,7-dimethylchromen-2-one
CID 9436672
4-[[[(1S)-1-(furan-2-yl)ethyl]amino]methyl]-6,7-dimethylchromen-2-one
CID 8920388
7-methyl-4-(methylaminomethyl)chromen-2-one
CID 27153679
N-[[2,5-dimethyl-4-[[(4-methylphenyl)methylamino]methyl]phenyl]methyl]-1-(4-methylphenyl)methanamine
CID 54443276
7-methyl-6-propan-2-yl-4-[(thiophen-2-ylmethylamino)methyl]chromen-2-one
CID 9265816
N-benzyl-2-[(6,7-dimethyl-2-oxochromen-4-yl)methylamino]benzamide
CID 9347720
4-[[3-(3,5-dimethylpyrazol-1-yl)propylamino]methyl]-6,7-dimethylchromen-2-one
CID 9265890
(6,7-dimethyl-2-oxochromen-4-yl)methyl 2-(3,4-dimethylphenyl)acetate
CID 8527160

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethyl-4-[[(4-methylphenyl)methylamino]methyl]chromen-2-one?
The IUPAC name of 6,7-dimethyl-4-[[(4-methylphenyl)methylamino]methyl]chromen-2-one (CID 9256676) is 6,7-dimethyl-4-[[(4-methylphenyl)methylamino]methyl]chromen-2-one.
What is the SMILES notation for 6,7-dimethyl-4-[[(4-methylphenyl)methylamino]methyl]chromen-2-one?
The canonical SMILES for 6,7-dimethyl-4-[[(4-methylphenyl)methylamino]methyl]chromen-2-one is Cc1ccc(CNCc2cc(=O)oc3cc(C)c(C)cc23)cc1.
What is the InChIKey of 6,7-dimethyl-4-[[(4-methylphenyl)methylamino]methyl]chromen-2-one?
The InChIKey is VYTPTPFDDYVFGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO2/c1-13-4-6-16(7-5-13)11-21-12-17-10-20(22)23-19-9-15(3)14(2)8-18(17)19/h4-10,21H,11-12H2,1-3H3.
What are the key properties of 6,7-dimethyl-4-[[(4-methylphenyl)methylamino]methyl]chromen-2-one?
6,7-dimethyl-4-[[(4-methylphenyl)methylamino]methyl]chromen-2-one has a molecular weight of 307.39 g/mol, XLogP of 4.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethyl-4-[[(4-methylphenyl)methylamino]methyl]chromen-2-one is sourced from PubChem (CID 9256676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).