5-(2-fluoroethyl)-3-methyl-6-phenyl-6H-phenanthridin-8-amine

C22H21FN2 — CID 89457631

IUPAC5-(2-fluoroethyl)-3-methyl-6-phenyl-6H-phenanthridin-8-amine
SMILESCc1ccc2c(c1)N(CCF)C(c1ccccc1)c1cc(N)ccc1-2
InChIInChI=1S/C22H21FN2/c1-15-7-9-19-18-10-8-17(24)14-20(18)22(16-5-3-2-4-6-16)25(12-11-23)21(19)13-15/h2-10,13-14,22H,11-12,24H2,1H3
InChIKeyKFSAYFSFUNLODY-UHFFFAOYSA-N
MW332.42 g/mol
LogP5.12
Rot. Bonds3

About 5-(2-fluoroethyl)-3-methyl-6-phenyl-6H-phenanthridin-8-amine

5-(2-fluoroethyl)-3-methyl-6-phenyl-6H-phenanthridin-8-amine (PubChem CID 89457631) has the molecular formula C22H21FN2 and a molecular weight of 332.42 g/mol. Its IUPAC name is 5-(2-fluoroethyl)-3-methyl-6-phenyl-6H-phenanthridin-8-amine.

Molecular Properties

Compound Name5-(2-fluoroethyl)-3-methyl-6-phenyl-6H-phenanthridin-8-amine
PubChem CID89457631
Molecular FormulaC22H21FN2
Molecular Weight332.42 g/mol
Exact Mass332.17
IUPAC Name5-(2-fluoroethyl)-3-methyl-6-phenyl-6H-phenanthridin-8-amine
SMILESCc1ccc2c(c1)N(CCF)C(c1ccccc1)c1cc(N)ccc1-2
InChIInChI=1S/C22H21FN2/c1-15-7-9-19-18-10-8-17(24)14-20(18)22(16-5-3-2-4-6-16)25(12-11-23)21(19)13-15/h2-10,13-14,22H,11-12,24H2,1H3
InChIKeyKFSAYFSFUNLODY-UHFFFAOYSA-N
XLogP5.12
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.42
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-(2-fluoroethyl)-3-methyl-6-phenyl-6H-phenanthridin-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 5-(2-fluoroethyl)-3-methyl-6-phenyl-6H-phenanthridin-8-amine?
The IUPAC name of 5-(2-fluoroethyl)-3-methyl-6-phenyl-6H-phenanthridin-8-amine (CID 89457631) is 5-(2-fluoroethyl)-3-methyl-6-phenyl-6H-phenanthridin-8-amine.
What is the SMILES notation for 5-(2-fluoroethyl)-3-methyl-6-phenyl-6H-phenanthridin-8-amine?
The canonical SMILES for 5-(2-fluoroethyl)-3-methyl-6-phenyl-6H-phenanthridin-8-amine is Cc1ccc2c(c1)N(CCF)C(c1ccccc1)c1cc(N)ccc1-2.
What is the InChIKey of 5-(2-fluoroethyl)-3-methyl-6-phenyl-6H-phenanthridin-8-amine?
The InChIKey is KFSAYFSFUNLODY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN2/c1-15-7-9-19-18-10-8-17(24)14-20(18)22(16-5-3-2-4-6-16)25(12-11-23)21(19)13-15/h2-10,13-14,22H,11-12,24H2,1H3.
What are the key properties of 5-(2-fluoroethyl)-3-methyl-6-phenyl-6H-phenanthridin-8-amine?
5-(2-fluoroethyl)-3-methyl-6-phenyl-6H-phenanthridin-8-amine has a molecular weight of 332.42 g/mol, XLogP of 5.12, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluoroethyl)-3-methyl-6-phenyl-6H-phenanthridin-8-amine is sourced from PubChem (CID 89457631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).