6a-methyl-6H-benzo[a]acridin-9-amine

C18H16N2 — CID 146237738

IUPAC6a-methyl-6H-benzo[a]acridin-9-amine
SMILESCC12CC=c3ccccc3=C1C=c1ccc(N)cc1=N2
InChIInChI=1S/C18H16N2/c1-18-9-8-12-4-2-3-5-15(12)16(18)10-13-6-7-14(19)11-17(13)20-18/h2-8,10-11H,9,19H2,1H3
InChIKeyAPZLUHUZRQCOKD-UHFFFAOYSA-N
MW260.34 g/mol
LogP0.48
Rot. Bonds

About 6a-methyl-6H-benzo[a]acridin-9-amine

6a-methyl-6H-benzo[a]acridin-9-amine (PubChem CID 146237738) has the molecular formula C18H16N2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 6a-methyl-6H-benzo[a]acridin-9-amine.

Molecular Properties

Compound Name6a-methyl-6H-benzo[a]acridin-9-amine
PubChem CID146237738
Molecular FormulaC18H16N2
Molecular Weight260.34 g/mol
Exact Mass260.13
IUPAC Name6a-methyl-6H-benzo[a]acridin-9-amine
SMILESCC12CC=c3ccccc3=C1C=c1ccc(N)cc1=N2
InChIInChI=1S/C18H16N2/c1-18-9-8-12-4-2-3-5-15(12)16(18)10-13-6-7-14(19)11-17(13)20-18/h2-8,10-11H,9,19H2,1H3
InChIKeyAPZLUHUZRQCOKD-UHFFFAOYSA-N
XLogP0.48
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6a-methyl-6H-benzo[a]acridin-9-amine?
The IUPAC name of 6a-methyl-6H-benzo[a]acridin-9-amine (CID 146237738) is 6a-methyl-6H-benzo[a]acridin-9-amine.
What is the SMILES notation for 6a-methyl-6H-benzo[a]acridin-9-amine?
The canonical SMILES for 6a-methyl-6H-benzo[a]acridin-9-amine is CC12CC=c3ccccc3=C1C=c1ccc(N)cc1=N2.
What is the InChIKey of 6a-methyl-6H-benzo[a]acridin-9-amine?
The InChIKey is APZLUHUZRQCOKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2/c1-18-9-8-12-4-2-3-5-15(12)16(18)10-13-6-7-14(19)11-17(13)20-18/h2-8,10-11H,9,19H2,1H3.
What are the key properties of 6a-methyl-6H-benzo[a]acridin-9-amine?
6a-methyl-6H-benzo[a]acridin-9-amine has a molecular weight of 260.34 g/mol, XLogP of 0.48, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6a-methyl-6H-benzo[a]acridin-9-amine is sourced from PubChem (CID 146237738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).