N-(3,4-dimethoxyphenyl)benzo[cd]indol-2-amine

C19H16N2O2 — CID 759536

IUPACN-(3,4-dimethoxyphenyl)benzo[cd]indol-2-amine
SMILESCOc1ccc(NC2=Nc3cccc4cccc2c34)cc1OC
InChIInChI=1S/C19H16N2O2/c1-22-16-10-9-13(11-17(16)23-2)20-19-14-7-3-5-12-6-4-8-15(21-19)18(12)14/h3-11H,1-2H3,(H,20,21)
InChIKeyIMICCSLWVXIYPO-UHFFFAOYSA-N
MW304.35 g/mol
LogP4.36
Rot. Bonds3

About N-(3,4-dimethoxyphenyl)benzo[cd]indol-2-amine

N-(3,4-dimethoxyphenyl)benzo[cd]indol-2-amine (PubChem CID 759536) has the molecular formula C19H16N2O2 and a molecular weight of 304.35 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)benzo[cd]indol-2-amine.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)benzo[cd]indol-2-amine
PubChem CID759536
Molecular FormulaC19H16N2O2
Molecular Weight304.35 g/mol
Exact Mass304.12
IUPAC NameN-(3,4-dimethoxyphenyl)benzo[cd]indol-2-amine
SMILESCOc1ccc(NC2=Nc3cccc4cccc2c34)cc1OC
InChIInChI=1S/C19H16N2O2/c1-22-16-10-9-13(11-17(16)23-2)20-19-14-7-3-5-12-6-4-8-15(21-19)18(12)14/h3-11H,1-2H3,(H,20,21)
InChIKeyIMICCSLWVXIYPO-UHFFFAOYSA-N
XLogP4.36
TPSA42.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)benzo[cd]indol-2-amine?
The IUPAC name of N-(3,4-dimethoxyphenyl)benzo[cd]indol-2-amine (CID 759536) is N-(3,4-dimethoxyphenyl)benzo[cd]indol-2-amine.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)benzo[cd]indol-2-amine?
The canonical SMILES for N-(3,4-dimethoxyphenyl)benzo[cd]indol-2-amine is COc1ccc(NC2=Nc3cccc4cccc2c34)cc1OC.
What is the InChIKey of N-(3,4-dimethoxyphenyl)benzo[cd]indol-2-amine?
The InChIKey is IMICCSLWVXIYPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O2/c1-22-16-10-9-13(11-17(16)23-2)20-19-14-7-3-5-12-6-4-8-15(21-19)18(12)14/h3-11H,1-2H3,(H,20,21).
What are the key properties of N-(3,4-dimethoxyphenyl)benzo[cd]indol-2-amine?
N-(3,4-dimethoxyphenyl)benzo[cd]indol-2-amine has a molecular weight of 304.35 g/mol, XLogP of 4.36, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)benzo[cd]indol-2-amine is sourced from PubChem (CID 759536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).