7-[2-[(3-fluorophenyl)methylamino]ethyl]quinolin-2-amine

C18H18FN3 — CID 72771078

IUPAC7-[2-[(3-fluorophenyl)methylamino]ethyl]quinolin-2-amine
SMILESNc1ccc2ccc(CCNCc3cccc(F)c3)cc2n1
InChIInChI=1S/C18H18FN3/c19-16-3-1-2-14(10-16)12-21-9-8-13-4-5-15-6-7-18(20)22-17(15)11-13/h1-7,10-11,21H,8-9,12H2,(H2,20,22)
InChIKeyGFTZBOUXJJDHLM-UHFFFAOYSA-N
MW295.36 g/mol
LogP3.29
Rot. Bonds5

About 7-[2-[(3-fluorophenyl)methylamino]ethyl]quinolin-2-amine

7-[2-[(3-fluorophenyl)methylamino]ethyl]quinolin-2-amine (PubChem CID 72771078) has the molecular formula C18H18FN3 and a molecular weight of 295.36 g/mol. Its IUPAC name is 7-[2-[(3-fluorophenyl)methylamino]ethyl]quinolin-2-amine.

Molecular Properties

Compound Name7-[2-[(3-fluorophenyl)methylamino]ethyl]quinolin-2-amine
PubChem CID72771078
Molecular FormulaC18H18FN3
Molecular Weight295.36 g/mol
Exact Mass295.15
IUPAC Name7-[2-[(3-fluorophenyl)methylamino]ethyl]quinolin-2-amine
SMILESNc1ccc2ccc(CCNCc3cccc(F)c3)cc2n1
InChIInChI=1S/C18H18FN3/c19-16-3-1-2-14(10-16)12-21-9-8-13-4-5-15-6-7-18(20)22-17(15)11-13/h1-7,10-11,21H,8-9,12H2,(H2,20,22)
InChIKeyGFTZBOUXJJDHLM-UHFFFAOYSA-N
XLogP3.29
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 53.29
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-[2-[(3-fluorophenyl)methylamino]ethyl]quinolin-2-amine?
The IUPAC name of 7-[2-[(3-fluorophenyl)methylamino]ethyl]quinolin-2-amine (CID 72771078) is 7-[2-[(3-fluorophenyl)methylamino]ethyl]quinolin-2-amine.
What is the SMILES notation for 7-[2-[(3-fluorophenyl)methylamino]ethyl]quinolin-2-amine?
The canonical SMILES for 7-[2-[(3-fluorophenyl)methylamino]ethyl]quinolin-2-amine is Nc1ccc2ccc(CCNCc3cccc(F)c3)cc2n1.
What is the InChIKey of 7-[2-[(3-fluorophenyl)methylamino]ethyl]quinolin-2-amine?
The InChIKey is GFTZBOUXJJDHLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3/c19-16-3-1-2-14(10-16)12-21-9-8-13-4-5-15-6-7-18(20)22-17(15)11-13/h1-7,10-11,21H,8-9,12H2,(H2,20,22).
What are the key properties of 7-[2-[(3-fluorophenyl)methylamino]ethyl]quinolin-2-amine?
7-[2-[(3-fluorophenyl)methylamino]ethyl]quinolin-2-amine has a molecular weight of 295.36 g/mol, XLogP of 3.29, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-[(3-fluorophenyl)methylamino]ethyl]quinolin-2-amine is sourced from PubChem (CID 72771078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).