1-[5-[(6-chloro-2-pyridinyl)oxymethyl]-2-fluorocyclohexyl]propan-1-amine

C15H22ClFN2O — CID 123363316

IUPAC1-[5-[(6-chloro-2-pyridinyl)oxymethyl]-2-fluorocyclohexyl]propan-1-amine
SMILESCCC(N)C1CC(COc2cccc(Cl)n2)CCC1F
InChIInChI=1S/C15H22ClFN2O/c1-2-13(18)11-8-10(6-7-12(11)17)9-20-15-5-3-4-14(16)19-15/h3-5,10-13H,2,6-9,18H2,1H3
InChIKeyPHQVPFAAROSPIQ-UHFFFAOYSA-N
MW300.80 g/mol
LogP3.61
Rot. Bonds5

About 1-[5-[(6-chloro-2-pyridinyl)oxymethyl]-2-fluorocyclohexyl]propan-1-amine

1-[5-[(6-chloro-2-pyridinyl)oxymethyl]-2-fluorocyclohexyl]propan-1-amine (PubChem CID 123363316) has the molecular formula C15H22ClFN2O and a molecular weight of 300.80 g/mol. Its IUPAC name is 1-[5-[(6-chloro-2-pyridinyl)oxymethyl]-2-fluorocyclohexyl]propan-1-amine.

Molecular Properties

Compound Name1-[5-[(6-chloro-2-pyridinyl)oxymethyl]-2-fluorocyclohexyl]propan-1-amine
PubChem CID123363316
Molecular FormulaC15H22ClFN2O
Molecular Weight300.80 g/mol
Exact Mass300.14
IUPAC Name1-[5-[(6-chloro-2-pyridinyl)oxymethyl]-2-fluorocyclohexyl]propan-1-amine
SMILESCCC(N)C1CC(COc2cccc(Cl)n2)CCC1F
InChIInChI=1S/C15H22ClFN2O/c1-2-13(18)11-8-10(6-7-12(11)17)9-20-15-5-3-4-14(16)19-15/h3-5,10-13H,2,6-9,18H2,1H3
InChIKeyPHQVPFAAROSPIQ-UHFFFAOYSA-N
XLogP3.61
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.80
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[5-[(6-chloro-2-pyridinyl)oxymethyl]-2-fluorocyclohexyl]propan-1-amine?
The IUPAC name of 1-[5-[(6-chloro-2-pyridinyl)oxymethyl]-2-fluorocyclohexyl]propan-1-amine (CID 123363316) is 1-[5-[(6-chloro-2-pyridinyl)oxymethyl]-2-fluorocyclohexyl]propan-1-amine.
What is the SMILES notation for 1-[5-[(6-chloro-2-pyridinyl)oxymethyl]-2-fluorocyclohexyl]propan-1-amine?
The canonical SMILES for 1-[5-[(6-chloro-2-pyridinyl)oxymethyl]-2-fluorocyclohexyl]propan-1-amine is CCC(N)C1CC(COc2cccc(Cl)n2)CCC1F.
What is the InChIKey of 1-[5-[(6-chloro-2-pyridinyl)oxymethyl]-2-fluorocyclohexyl]propan-1-amine?
The InChIKey is PHQVPFAAROSPIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClFN2O/c1-2-13(18)11-8-10(6-7-12(11)17)9-20-15-5-3-4-14(16)19-15/h3-5,10-13H,2,6-9,18H2,1H3.
What are the key properties of 1-[5-[(6-chloro-2-pyridinyl)oxymethyl]-2-fluorocyclohexyl]propan-1-amine?
1-[5-[(6-chloro-2-pyridinyl)oxymethyl]-2-fluorocyclohexyl]propan-1-amine has a molecular weight of 300.80 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[(6-chloro-2-pyridinyl)oxymethyl]-2-fluorocyclohexyl]propan-1-amine is sourced from PubChem (CID 123363316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).