1-methoxy-6-phenyl-6H-benzo[c]chromen-8-amine

C20H17NO2 — CID 18189209

IUPAC1-methoxy-6-phenyl-6H-benzo[c]chromen-8-amine
SMILESCOc1cccc2c1-c1ccc(N)cc1C(c1ccccc1)O2
InChIInChI=1S/C20H17NO2/c1-22-17-8-5-9-18-19(17)15-11-10-14(21)12-16(15)20(23-18)13-6-3-2-4-7-13/h2-12,20H,21H2,1H3
InChIKeyMVULNNIYAGEMCC-UHFFFAOYSA-N
MW303.36 g/mol
LogP4.43
Rot. Bonds2

About 1-methoxy-6-phenyl-6H-benzo[c]chromen-8-amine

1-methoxy-6-phenyl-6H-benzo[c]chromen-8-amine (PubChem CID 18189209) has the molecular formula C20H17NO2 and a molecular weight of 303.36 g/mol. Its IUPAC name is 1-methoxy-6-phenyl-6H-benzo[c]chromen-8-amine.

Molecular Properties

Compound Name1-methoxy-6-phenyl-6H-benzo[c]chromen-8-amine
PubChem CID18189209
Molecular FormulaC20H17NO2
Molecular Weight303.36 g/mol
Exact Mass303.13
IUPAC Name1-methoxy-6-phenyl-6H-benzo[c]chromen-8-amine
SMILESCOc1cccc2c1-c1ccc(N)cc1C(c1ccccc1)O2
InChIInChI=1S/C20H17NO2/c1-22-17-8-5-9-18-19(17)15-11-10-14(21)12-16(15)20(23-18)13-6-3-2-4-7-13/h2-12,20H,21H2,1H3
InChIKeyMVULNNIYAGEMCC-UHFFFAOYSA-N
XLogP4.43
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-6-phenyl-6H-benzo[c]chromen-8-amine?
The IUPAC name of 1-methoxy-6-phenyl-6H-benzo[c]chromen-8-amine (CID 18189209) is 1-methoxy-6-phenyl-6H-benzo[c]chromen-8-amine.
What is the SMILES notation for 1-methoxy-6-phenyl-6H-benzo[c]chromen-8-amine?
The canonical SMILES for 1-methoxy-6-phenyl-6H-benzo[c]chromen-8-amine is COc1cccc2c1-c1ccc(N)cc1C(c1ccccc1)O2.
What is the InChIKey of 1-methoxy-6-phenyl-6H-benzo[c]chromen-8-amine?
The InChIKey is MVULNNIYAGEMCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NO2/c1-22-17-8-5-9-18-19(17)15-11-10-14(21)12-16(15)20(23-18)13-6-3-2-4-7-13/h2-12,20H,21H2,1H3.
What are the key properties of 1-methoxy-6-phenyl-6H-benzo[c]chromen-8-amine?
1-methoxy-6-phenyl-6H-benzo[c]chromen-8-amine has a molecular weight of 303.36 g/mol, XLogP of 4.43, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-6-phenyl-6H-benzo[c]chromen-8-amine is sourced from PubChem (CID 18189209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).