7-[[3-(3-fluorophenyl)propylamino]methyl]quinolin-2-amine

C19H20FN3 — CID 72771080

IUPAC7-[[3-(3-fluorophenyl)propylamino]methyl]quinolin-2-amine
SMILESNc1ccc2ccc(CNCCCc3cccc(F)c3)cc2n1
InChIInChI=1S/C19H20FN3/c20-17-5-1-3-14(11-17)4-2-10-22-13-15-6-7-16-8-9-19(21)23-18(16)12-15/h1,3,5-9,11-12,22H,2,4,10,13H2,(H2,21,23)
InChIKeyQIPUHKWELQSESM-UHFFFAOYSA-N
MW309.39 g/mol
LogP3.68
Rot. Bonds6

About 7-[[3-(3-fluorophenyl)propylamino]methyl]quinolin-2-amine

7-[[3-(3-fluorophenyl)propylamino]methyl]quinolin-2-amine (PubChem CID 72771080) has the molecular formula C19H20FN3 and a molecular weight of 309.39 g/mol. Its IUPAC name is 7-[[3-(3-fluorophenyl)propylamino]methyl]quinolin-2-amine.

Molecular Properties

Compound Name7-[[3-(3-fluorophenyl)propylamino]methyl]quinolin-2-amine
PubChem CID72771080
Molecular FormulaC19H20FN3
Molecular Weight309.39 g/mol
Exact Mass309.16
IUPAC Name7-[[3-(3-fluorophenyl)propylamino]methyl]quinolin-2-amine
SMILESNc1ccc2ccc(CNCCCc3cccc(F)c3)cc2n1
InChIInChI=1S/C19H20FN3/c20-17-5-1-3-14(11-17)4-2-10-22-13-15-6-7-16-8-9-19(21)23-18(16)12-15/h1,3,5-9,11-12,22H,2,4,10,13H2,(H2,21,23)
InChIKeyQIPUHKWELQSESM-UHFFFAOYSA-N
XLogP3.68
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-[[3-(3-fluorophenyl)propylamino]methyl]quinolin-2-amine?
The IUPAC name of 7-[[3-(3-fluorophenyl)propylamino]methyl]quinolin-2-amine (CID 72771080) is 7-[[3-(3-fluorophenyl)propylamino]methyl]quinolin-2-amine.
What is the SMILES notation for 7-[[3-(3-fluorophenyl)propylamino]methyl]quinolin-2-amine?
The canonical SMILES for 7-[[3-(3-fluorophenyl)propylamino]methyl]quinolin-2-amine is Nc1ccc2ccc(CNCCCc3cccc(F)c3)cc2n1.
What is the InChIKey of 7-[[3-(3-fluorophenyl)propylamino]methyl]quinolin-2-amine?
The InChIKey is QIPUHKWELQSESM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3/c20-17-5-1-3-14(11-17)4-2-10-22-13-15-6-7-16-8-9-19(21)23-18(16)12-15/h1,3,5-9,11-12,22H,2,4,10,13H2,(H2,21,23).
What are the key properties of 7-[[3-(3-fluorophenyl)propylamino]methyl]quinolin-2-amine?
7-[[3-(3-fluorophenyl)propylamino]methyl]quinolin-2-amine has a molecular weight of 309.39 g/mol, XLogP of 3.68, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[3-(3-fluorophenyl)propylamino]methyl]quinolin-2-amine is sourced from PubChem (CID 72771080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).