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

C19H23NO5 — CID 118726864

IUPAC7-methoxy-4-(3,4,5-trimethoxyphenyl)-3,4-dihydro-2H-chromen-8-amine
SMILESCOc1ccc2c(c1N)OCCC2c1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C19H23NO5/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/h5-6,9-10,12H,7-8,20H2,1-4H3
InChIKeyQWBPKZQCCISJKH-UHFFFAOYSA-N
MW345.40 g/mol
LogP3.22
Rot. Bonds5

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

7-methoxy-4-(3,4,5-trimethoxyphenyl)-3,4-dihydro-2H-chromen-8-amine (PubChem CID 118726864) has the molecular formula C19H23NO5 and a molecular weight of 345.40 g/mol. Its IUPAC name is 7-methoxy-4-(3,4,5-trimethoxyphenyl)-3,4-dihydro-2H-chromen-8-amine.

Molecular Properties

Compound Name7-methoxy-4-(3,4,5-trimethoxyphenyl)-3,4-dihydro-2H-chromen-8-amine
PubChem CID118726864
Molecular FormulaC19H23NO5
Molecular Weight345.40 g/mol
Exact Mass345.16
IUPAC Name7-methoxy-4-(3,4,5-trimethoxyphenyl)-3,4-dihydro-2H-chromen-8-amine
SMILESCOc1ccc2c(c1N)OCCC2c1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C19H23NO5/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/h5-6,9-10,12H,7-8,20H2,1-4H3
InChIKeyQWBPKZQCCISJKH-UHFFFAOYSA-N
XLogP3.22
TPSA72.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 53.22
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)-3,4-dihydro-2H-chromen-8-amine?
The IUPAC name of 7-methoxy-4-(3,4,5-trimethoxyphenyl)-3,4-dihydro-2H-chromen-8-amine (CID 118726864) is 7-methoxy-4-(3,4,5-trimethoxyphenyl)-3,4-dihydro-2H-chromen-8-amine.
What is the SMILES notation for 7-methoxy-4-(3,4,5-trimethoxyphenyl)-3,4-dihydro-2H-chromen-8-amine?
The canonical SMILES for 7-methoxy-4-(3,4,5-trimethoxyphenyl)-3,4-dihydro-2H-chromen-8-amine is COc1ccc2c(c1N)OCCC2c1cc(OC)c(OC)c(OC)c1.
What is the InChIKey of 7-methoxy-4-(3,4,5-trimethoxyphenyl)-3,4-dihydro-2H-chromen-8-amine?
The InChIKey is QWBPKZQCCISJKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO5/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/h5-6,9-10,12H,7-8,20H2,1-4H3.
What are the key properties of 7-methoxy-4-(3,4,5-trimethoxyphenyl)-3,4-dihydro-2H-chromen-8-amine?
7-methoxy-4-(3,4,5-trimethoxyphenyl)-3,4-dihydro-2H-chromen-8-amine has a molecular weight of 345.40 g/mol, XLogP of 3.22, 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)-3,4-dihydro-2H-chromen-8-amine is sourced from PubChem (CID 118726864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).