2,7-dimethyl-9-phenylacridine-3,6-diamine

C21H19N3 — CID 10161

IUPAC2,7-dimethyl-9-phenylacridine-3,6-diamine
SMILESCc1cc2c(-c3ccccc3)c3cc(C)c(N)cc3nc2cc1N
InChIInChI=1S/C21H19N3/c1-12-8-15-19(10-17(12)22)24-20-11-18(23)13(2)9-16(20)21(15)14-6-4-3-5-7-14/h3-11H,22-23H2,1-2H3
InChIKeyAFYNWNWCDBFAJL-UHFFFAOYSA-N
MW313.40 g/mol
LogP4.84
Rot. Bonds1

About 2,7-dimethyl-9-phenylacridine-3,6-diamine

2,7-dimethyl-9-phenylacridine-3,6-diamine (PubChem CID 10161) has the molecular formula C21H19N3 and a molecular weight of 313.40 g/mol. Its IUPAC name is 2,7-dimethyl-9-phenylacridine-3,6-diamine.

Molecular Properties

Compound Name2,7-dimethyl-9-phenylacridine-3,6-diamine
PubChem CID10161
Molecular FormulaC21H19N3
Molecular Weight313.40 g/mol
Exact Mass313.16
IUPAC Name2,7-dimethyl-9-phenylacridine-3,6-diamine
SMILESCc1cc2c(-c3ccccc3)c3cc(C)c(N)cc3nc2cc1N
InChIInChI=1S/C21H19N3/c1-12-8-15-19(10-17(12)22)24-20-11-18(23)13(2)9-16(20)21(15)14-6-4-3-5-7-14/h3-11H,22-23H2,1-2H3
InChIKeyAFYNWNWCDBFAJL-UHFFFAOYSA-N
XLogP4.84
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,7-dimethyl-9-phenylacridine-3,6-diamine?
The IUPAC name of 2,7-dimethyl-9-phenylacridine-3,6-diamine (CID 10161) is 2,7-dimethyl-9-phenylacridine-3,6-diamine.
What is the SMILES notation for 2,7-dimethyl-9-phenylacridine-3,6-diamine?
The canonical SMILES for 2,7-dimethyl-9-phenylacridine-3,6-diamine is Cc1cc2c(-c3ccccc3)c3cc(C)c(N)cc3nc2cc1N.
What is the InChIKey of 2,7-dimethyl-9-phenylacridine-3,6-diamine?
The InChIKey is AFYNWNWCDBFAJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3/c1-12-8-15-19(10-17(12)22)24-20-11-18(23)13(2)9-16(20)21(15)14-6-4-3-5-7-14/h3-11H,22-23H2,1-2H3.
What are the key properties of 2,7-dimethyl-9-phenylacridine-3,6-diamine?
2,7-dimethyl-9-phenylacridine-3,6-diamine has a molecular weight of 313.40 g/mol, XLogP of 4.84, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dimethyl-9-phenylacridine-3,6-diamine is sourced from PubChem (CID 10161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).