6-[4-(2-fluoroethoxy)phenyl]-3,5-dimethyl-6H-phenanthridin-8-amine

C23H23FN2O — CID 89457601

IUPAC6-[4-(2-fluoroethoxy)phenyl]-3,5-dimethyl-6H-phenanthridin-8-amine
SMILESCc1ccc2c(c1)N(C)C(c1ccc(OCCF)cc1)c1cc(N)ccc1-2
InChIInChI=1S/C23H23FN2O/c1-15-3-9-20-19-10-6-17(25)14-21(19)23(26(2)22(20)13-15)16-4-7-18(8-5-16)27-12-11-24/h3-10,13-14,23H,11-12,25H2,1-2H3
InChIKeyUGVCJLHHYKUDJC-UHFFFAOYSA-N
MW362.45 g/mol
LogP5.13
Rot. Bonds4

About 6-[4-(2-fluoroethoxy)phenyl]-3,5-dimethyl-6H-phenanthridin-8-amine

6-[4-(2-fluoroethoxy)phenyl]-3,5-dimethyl-6H-phenanthridin-8-amine (PubChem CID 89457601) has the molecular formula C23H23FN2O and a molecular weight of 362.45 g/mol. Its IUPAC name is 6-[4-(2-fluoroethoxy)phenyl]-3,5-dimethyl-6H-phenanthridin-8-amine.

Molecular Properties

Compound Name6-[4-(2-fluoroethoxy)phenyl]-3,5-dimethyl-6H-phenanthridin-8-amine
PubChem CID89457601
Molecular FormulaC23H23FN2O
Molecular Weight362.45 g/mol
Exact Mass362.18
IUPAC Name6-[4-(2-fluoroethoxy)phenyl]-3,5-dimethyl-6H-phenanthridin-8-amine
SMILESCc1ccc2c(c1)N(C)C(c1ccc(OCCF)cc1)c1cc(N)ccc1-2
InChIInChI=1S/C23H23FN2O/c1-15-3-9-20-19-10-6-17(25)14-21(19)23(26(2)22(20)13-15)16-4-7-18(8-5-16)27-12-11-24/h3-10,13-14,23H,11-12,25H2,1-2H3
InChIKeyUGVCJLHHYKUDJC-UHFFFAOYSA-N
XLogP5.13
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.45
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(2-fluoroethoxy)phenyl]-3,5-dimethyl-6H-phenanthridin-8-amine?
The IUPAC name of 6-[4-(2-fluoroethoxy)phenyl]-3,5-dimethyl-6H-phenanthridin-8-amine (CID 89457601) is 6-[4-(2-fluoroethoxy)phenyl]-3,5-dimethyl-6H-phenanthridin-8-amine.
What is the SMILES notation for 6-[4-(2-fluoroethoxy)phenyl]-3,5-dimethyl-6H-phenanthridin-8-amine?
The canonical SMILES for 6-[4-(2-fluoroethoxy)phenyl]-3,5-dimethyl-6H-phenanthridin-8-amine is Cc1ccc2c(c1)N(C)C(c1ccc(OCCF)cc1)c1cc(N)ccc1-2.
What is the InChIKey of 6-[4-(2-fluoroethoxy)phenyl]-3,5-dimethyl-6H-phenanthridin-8-amine?
The InChIKey is UGVCJLHHYKUDJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN2O/c1-15-3-9-20-19-10-6-17(25)14-21(19)23(26(2)22(20)13-15)16-4-7-18(8-5-16)27-12-11-24/h3-10,13-14,23H,11-12,25H2,1-2H3.
What are the key properties of 6-[4-(2-fluoroethoxy)phenyl]-3,5-dimethyl-6H-phenanthridin-8-amine?
6-[4-(2-fluoroethoxy)phenyl]-3,5-dimethyl-6H-phenanthridin-8-amine has a molecular weight of 362.45 g/mol, XLogP of 5.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(2-fluoroethoxy)phenyl]-3,5-dimethyl-6H-phenanthridin-8-amine is sourced from PubChem (CID 89457601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).