1-(3-fluorophenyl)-2-quinolin-8-ylpropan-2-amine

C18H17FN2 — CID 114833985

IUPAC1-(3-fluorophenyl)-2-quinolin-8-ylpropan-2-amine
SMILESCC(N)(Cc1cccc(F)c1)c1cccc2cccnc12
InChIInChI=1S/C18H17FN2/c1-18(20,12-13-5-2-8-15(19)11-13)16-9-3-6-14-7-4-10-21-17(14)16/h2-11H,12,20H2,1H3
InChIKeyXOBVQYJQKSRXBY-UHFFFAOYSA-N
MW280.35 g/mol
LogP3.79
Rot. Bonds3

About 1-(3-fluorophenyl)-2-quinolin-8-ylpropan-2-amine

1-(3-fluorophenyl)-2-quinolin-8-ylpropan-2-amine (PubChem CID 114833985) has the molecular formula C18H17FN2 and a molecular weight of 280.35 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-2-quinolin-8-ylpropan-2-amine.

Molecular Properties

Compound Name1-(3-fluorophenyl)-2-quinolin-8-ylpropan-2-amine
PubChem CID114833985
Molecular FormulaC18H17FN2
Molecular Weight280.35 g/mol
Exact Mass280.14
IUPAC Name1-(3-fluorophenyl)-2-quinolin-8-ylpropan-2-amine
SMILESCC(N)(Cc1cccc(F)c1)c1cccc2cccnc12
InChIInChI=1S/C18H17FN2/c1-18(20,12-13-5-2-8-15(19)11-13)16-9-3-6-14-7-4-10-21-17(14)16/h2-11H,12,20H2,1H3
InChIKeyXOBVQYJQKSRXBY-UHFFFAOYSA-N
XLogP3.79
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(3-fluorophenyl)-2-quinolin-8-ylpropan-2-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-(3-fluorophenyl)-2-quinolin-8-ylpropan-2-amine?
The IUPAC name of 1-(3-fluorophenyl)-2-quinolin-8-ylpropan-2-amine (CID 114833985) is 1-(3-fluorophenyl)-2-quinolin-8-ylpropan-2-amine.
What is the SMILES notation for 1-(3-fluorophenyl)-2-quinolin-8-ylpropan-2-amine?
The canonical SMILES for 1-(3-fluorophenyl)-2-quinolin-8-ylpropan-2-amine is CC(N)(Cc1cccc(F)c1)c1cccc2cccnc12.
What is the InChIKey of 1-(3-fluorophenyl)-2-quinolin-8-ylpropan-2-amine?
The InChIKey is XOBVQYJQKSRXBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2/c1-18(20,12-13-5-2-8-15(19)11-13)16-9-3-6-14-7-4-10-21-17(14)16/h2-11H,12,20H2,1H3.
What are the key properties of 1-(3-fluorophenyl)-2-quinolin-8-ylpropan-2-amine?
1-(3-fluorophenyl)-2-quinolin-8-ylpropan-2-amine has a molecular weight of 280.35 g/mol, XLogP of 3.79, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-2-quinolin-8-ylpropan-2-amine is sourced from PubChem (CID 114833985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).