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

C22H21NO2 — CID 10131608

IUPACN-ethyl-1-methoxy-6-phenyl-6H-benzo[c]chromen-8-amine
SMILESCCNc1ccc2c(c1)C(c1ccccc1)Oc1cccc(OC)c1-2
InChIInChI=1S/C22H21NO2/c1-3-23-16-12-13-17-18(14-16)22(15-8-5-4-6-9-15)25-20-11-7-10-19(24-2)21(17)20/h4-14,22-23H,3H2,1-2H3
InChIKeyDUKKUETTYYTCOP-UHFFFAOYSA-N
MW331.42 g/mol
LogP5.28
Rot. Bonds4

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

N-ethyl-1-methoxy-6-phenyl-6H-benzo[c]chromen-8-amine (PubChem CID 10131608) has the molecular formula C22H21NO2 and a molecular weight of 331.42 g/mol. Its IUPAC name is N-ethyl-1-methoxy-6-phenyl-6H-benzo[c]chromen-8-amine.

Molecular Properties

Compound NameN-ethyl-1-methoxy-6-phenyl-6H-benzo[c]chromen-8-amine
PubChem CID10131608
Molecular FormulaC22H21NO2
Molecular Weight331.42 g/mol
Exact Mass331.16
IUPAC NameN-ethyl-1-methoxy-6-phenyl-6H-benzo[c]chromen-8-amine
SMILESCCNc1ccc2c(c1)C(c1ccccc1)Oc1cccc(OC)c1-2
InChIInChI=1S/C22H21NO2/c1-3-23-16-12-13-17-18(14-16)22(15-8-5-4-6-9-15)25-20-11-7-10-19(24-2)21(17)20/h4-14,22-23H,3H2,1-2H3
InChIKeyDUKKUETTYYTCOP-UHFFFAOYSA-N
XLogP5.28
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.42
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-ethyl-1-methoxy-6-phenyl-6H-benzo[c]chromen-8-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-methoxy-6-phenyl-6H-benzo[c]chromen-8-amine?
The IUPAC name of N-ethyl-1-methoxy-6-phenyl-6H-benzo[c]chromen-8-amine (CID 10131608) is N-ethyl-1-methoxy-6-phenyl-6H-benzo[c]chromen-8-amine.
What is the SMILES notation for N-ethyl-1-methoxy-6-phenyl-6H-benzo[c]chromen-8-amine?
The canonical SMILES for N-ethyl-1-methoxy-6-phenyl-6H-benzo[c]chromen-8-amine is CCNc1ccc2c(c1)C(c1ccccc1)Oc1cccc(OC)c1-2.
What is the InChIKey of N-ethyl-1-methoxy-6-phenyl-6H-benzo[c]chromen-8-amine?
The InChIKey is DUKKUETTYYTCOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21NO2/c1-3-23-16-12-13-17-18(14-16)22(15-8-5-4-6-9-15)25-20-11-7-10-19(24-2)21(17)20/h4-14,22-23H,3H2,1-2H3.
What are the key properties of N-ethyl-1-methoxy-6-phenyl-6H-benzo[c]chromen-8-amine?
N-ethyl-1-methoxy-6-phenyl-6H-benzo[c]chromen-8-amine has a molecular weight of 331.42 g/mol, XLogP of 5.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-methoxy-6-phenyl-6H-benzo[c]chromen-8-amine is sourced from PubChem (CID 10131608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).