1-[4-(7-fluoroisoquinolin-6-yl)oxy-1-phenylcyclohexyl]propan-1-amine

C24H27FN2O — CID 58381032

IUPAC1-[4-(7-fluoroisoquinolin-6-yl)oxy-1-phenylcyclohexyl]propan-1-amine
SMILESCCC(N)C1(c2ccccc2)CCC(Oc2cc3ccncc3cc2F)CC1
InChIInChI=1S/C24H27FN2O/c1-2-23(26)24(19-6-4-3-5-7-19)11-8-20(9-12-24)28-22-15-17-10-13-27-16-18(17)14-21(22)25/h3-7,10,13-16,20,23H,2,8-9,11-12,26H2,1H3
InChIKeyFNYWAZXMOGOMEE-UHFFFAOYSA-N
MW378.49 g/mol
LogP5.37
Rot. Bonds5

About 1-[4-(7-fluoroisoquinolin-6-yl)oxy-1-phenylcyclohexyl]propan-1-amine

1-[4-(7-fluoroisoquinolin-6-yl)oxy-1-phenylcyclohexyl]propan-1-amine (PubChem CID 58381032) has the molecular formula C24H27FN2O and a molecular weight of 378.49 g/mol. Its IUPAC name is 1-[4-(7-fluoroisoquinolin-6-yl)oxy-1-phenylcyclohexyl]propan-1-amine.

Molecular Properties

Compound Name1-[4-(7-fluoroisoquinolin-6-yl)oxy-1-phenylcyclohexyl]propan-1-amine
PubChem CID58381032
Molecular FormulaC24H27FN2O
Molecular Weight378.49 g/mol
Exact Mass378.21
IUPAC Name1-[4-(7-fluoroisoquinolin-6-yl)oxy-1-phenylcyclohexyl]propan-1-amine
SMILESCCC(N)C1(c2ccccc2)CCC(Oc2cc3ccncc3cc2F)CC1
InChIInChI=1S/C24H27FN2O/c1-2-23(26)24(19-6-4-3-5-7-19)11-8-20(9-12-24)28-22-15-17-10-13-27-16-18(17)14-21(22)25/h3-7,10,13-16,20,23H,2,8-9,11-12,26H2,1H3
InChIKeyFNYWAZXMOGOMEE-UHFFFAOYSA-N
XLogP5.37
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.49
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[4-(7-fluoroisoquinolin-6-yl)oxy-1-phenylcyclohexyl]propan-1-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 1-[4-(7-fluoroisoquinolin-6-yl)oxy-1-phenylcyclohexyl]propan-1-amine?
The IUPAC name of 1-[4-(7-fluoroisoquinolin-6-yl)oxy-1-phenylcyclohexyl]propan-1-amine (CID 58381032) is 1-[4-(7-fluoroisoquinolin-6-yl)oxy-1-phenylcyclohexyl]propan-1-amine.
What is the SMILES notation for 1-[4-(7-fluoroisoquinolin-6-yl)oxy-1-phenylcyclohexyl]propan-1-amine?
The canonical SMILES for 1-[4-(7-fluoroisoquinolin-6-yl)oxy-1-phenylcyclohexyl]propan-1-amine is CCC(N)C1(c2ccccc2)CCC(Oc2cc3ccncc3cc2F)CC1.
What is the InChIKey of 1-[4-(7-fluoroisoquinolin-6-yl)oxy-1-phenylcyclohexyl]propan-1-amine?
The InChIKey is FNYWAZXMOGOMEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FN2O/c1-2-23(26)24(19-6-4-3-5-7-19)11-8-20(9-12-24)28-22-15-17-10-13-27-16-18(17)14-21(22)25/h3-7,10,13-16,20,23H,2,8-9,11-12,26H2,1H3.
What are the key properties of 1-[4-(7-fluoroisoquinolin-6-yl)oxy-1-phenylcyclohexyl]propan-1-amine?
1-[4-(7-fluoroisoquinolin-6-yl)oxy-1-phenylcyclohexyl]propan-1-amine has a molecular weight of 378.49 g/mol, XLogP of 5.37, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(7-fluoroisoquinolin-6-yl)oxy-1-phenylcyclohexyl]propan-1-amine is sourced from PubChem (CID 58381032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).