7-methoxy-4-(3,4,5-trimethoxyphenyl)-2H-chromen-8-amine

C19H21NO5 — CID 118726861

IUPAC7-methoxy-4-(3,4,5-trimethoxyphenyl)-2H-chromen-8-amine
SMILESCOc1ccc2c(c1N)OCC=C2c1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C19H21NO5/c1-21-14-6-5-13-12(7-8-25-18(13)17(14)20)11-9-15(22-2)19(24-4)16(10-11)23-3/h5-7,9-10H,8,20H2,1-4H3
InChIKeyCRDRLNPFDNMJOX-UHFFFAOYSA-N
MW343.38 g/mol
LogP3.13
Rot. Bonds5

About 7-methoxy-4-(3,4,5-trimethoxyphenyl)-2H-chromen-8-amine

7-methoxy-4-(3,4,5-trimethoxyphenyl)-2H-chromen-8-amine (PubChem CID 118726861) has the molecular formula C19H21NO5 and a molecular weight of 343.38 g/mol. Its IUPAC name is 7-methoxy-4-(3,4,5-trimethoxyphenyl)-2H-chromen-8-amine.

Molecular Properties

Compound Name7-methoxy-4-(3,4,5-trimethoxyphenyl)-2H-chromen-8-amine
PubChem CID118726861
Molecular FormulaC19H21NO5
Molecular Weight343.38 g/mol
Exact Mass343.14
IUPAC Name7-methoxy-4-(3,4,5-trimethoxyphenyl)-2H-chromen-8-amine
SMILESCOc1ccc2c(c1N)OCC=C2c1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C19H21NO5/c1-21-14-6-5-13-12(7-8-25-18(13)17(14)20)11-9-15(22-2)19(24-4)16(10-11)23-3/h5-7,9-10H,8,20H2,1-4H3
InChIKeyCRDRLNPFDNMJOX-UHFFFAOYSA-N
XLogP3.13
TPSA72.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-4-(3,4,5-trimethoxyphenyl)-2H-chromen-8-amine?
The IUPAC name of 7-methoxy-4-(3,4,5-trimethoxyphenyl)-2H-chromen-8-amine (CID 118726861) is 7-methoxy-4-(3,4,5-trimethoxyphenyl)-2H-chromen-8-amine.
What is the SMILES notation for 7-methoxy-4-(3,4,5-trimethoxyphenyl)-2H-chromen-8-amine?
The canonical SMILES for 7-methoxy-4-(3,4,5-trimethoxyphenyl)-2H-chromen-8-amine is COc1ccc2c(c1N)OCC=C2c1cc(OC)c(OC)c(OC)c1.
What is the InChIKey of 7-methoxy-4-(3,4,5-trimethoxyphenyl)-2H-chromen-8-amine?
The InChIKey is CRDRLNPFDNMJOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO5/c1-21-14-6-5-13-12(7-8-25-18(13)17(14)20)11-9-15(22-2)19(24-4)16(10-11)23-3/h5-7,9-10H,8,20H2,1-4H3.
What are the key properties of 7-methoxy-4-(3,4,5-trimethoxyphenyl)-2H-chromen-8-amine?
7-methoxy-4-(3,4,5-trimethoxyphenyl)-2H-chromen-8-amine has a molecular weight of 343.38 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-4-(3,4,5-trimethoxyphenyl)-2H-chromen-8-amine is sourced from PubChem (CID 118726861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).