6-N,6-N-diethyl-9-(3-fluorophenyl)acridine-3,6-diamine

C23H22FN3 — CID 23758783

IUPAC6-N,6-N-diethyl-9-(3-fluorophenyl)acridine-3,6-diamine
SMILESCCN(CC)c1ccc2c(-c3cccc(F)c3)c3ccc(N)cc3nc2c1
InChIInChI=1S/C23H22FN3/c1-3-27(4-2)18-9-11-20-22(14-18)26-21-13-17(25)8-10-19(21)23(20)15-6-5-7-16(24)12-15/h5-14H,3-4,25H2,1-2H3
InChIKeySLQLWDBWXXFBET-UHFFFAOYSA-N
MW359.45 g/mol
LogP5.62
Rot. Bonds4

About 6-N,6-N-diethyl-9-(3-fluorophenyl)acridine-3,6-diamine

6-N,6-N-diethyl-9-(3-fluorophenyl)acridine-3,6-diamine (PubChem CID 23758783) has the molecular formula C23H22FN3 and a molecular weight of 359.45 g/mol. Its IUPAC name is 6-N,6-N-diethyl-9-(3-fluorophenyl)acridine-3,6-diamine.

Molecular Properties

Compound Name6-N,6-N-diethyl-9-(3-fluorophenyl)acridine-3,6-diamine
PubChem CID23758783
Molecular FormulaC23H22FN3
Molecular Weight359.45 g/mol
Exact Mass359.18
IUPAC Name6-N,6-N-diethyl-9-(3-fluorophenyl)acridine-3,6-diamine
SMILESCCN(CC)c1ccc2c(-c3cccc(F)c3)c3ccc(N)cc3nc2c1
InChIInChI=1S/C23H22FN3/c1-3-27(4-2)18-9-11-20-22(14-18)26-21-13-17(25)8-10-19(21)23(20)15-6-5-7-16(24)12-15/h5-14H,3-4,25H2,1-2H3
InChIKeySLQLWDBWXXFBET-UHFFFAOYSA-N
XLogP5.62
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.45
LogP ≤ 55.62
H-Bond Donors ≤ 51
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 6-N,6-N-diethyl-9-(3-fluorophenyl)acridine-3,6-diamine?
The IUPAC name of 6-N,6-N-diethyl-9-(3-fluorophenyl)acridine-3,6-diamine (CID 23758783) is 6-N,6-N-diethyl-9-(3-fluorophenyl)acridine-3,6-diamine.
What is the SMILES notation for 6-N,6-N-diethyl-9-(3-fluorophenyl)acridine-3,6-diamine?
The canonical SMILES for 6-N,6-N-diethyl-9-(3-fluorophenyl)acridine-3,6-diamine is CCN(CC)c1ccc2c(-c3cccc(F)c3)c3ccc(N)cc3nc2c1.
What is the InChIKey of 6-N,6-N-diethyl-9-(3-fluorophenyl)acridine-3,6-diamine?
The InChIKey is SLQLWDBWXXFBET-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN3/c1-3-27(4-2)18-9-11-20-22(14-18)26-21-13-17(25)8-10-19(21)23(20)15-6-5-7-16(24)12-15/h5-14H,3-4,25H2,1-2H3.
What are the key properties of 6-N,6-N-diethyl-9-(3-fluorophenyl)acridine-3,6-diamine?
6-N,6-N-diethyl-9-(3-fluorophenyl)acridine-3,6-diamine has a molecular weight of 359.45 g/mol, XLogP of 5.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N,6-N-diethyl-9-(3-fluorophenyl)acridine-3,6-diamine is sourced from PubChem (CID 23758783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).