1-(3-fluorophenyl)-1-(5-methoxy-3-pyridinyl)propan-1-amine

C15H17FN2O — CID 114872623

IUPAC1-(3-fluorophenyl)-1-(5-methoxy-3-pyridinyl)propan-1-amine
SMILESCCC(N)(c1cccc(F)c1)c1cncc(OC)c1
InChIInChI=1S/C15H17FN2O/c1-3-15(17,11-5-4-6-13(16)7-11)12-8-14(19-2)10-18-9-12/h4-10H,3,17H2,1-2H3
InChIKeyUANHASBMGCZJTI-UHFFFAOYSA-N
MW260.31 g/mol
LogP2.84
Rot. Bonds4

About 1-(3-fluorophenyl)-1-(5-methoxy-3-pyridinyl)propan-1-amine

1-(3-fluorophenyl)-1-(5-methoxy-3-pyridinyl)propan-1-amine (PubChem CID 114872623) has the molecular formula C15H17FN2O and a molecular weight of 260.31 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-1-(5-methoxy-3-pyridinyl)propan-1-amine.

Molecular Properties

Compound Name1-(3-fluorophenyl)-1-(5-methoxy-3-pyridinyl)propan-1-amine
PubChem CID114872623
Molecular FormulaC15H17FN2O
Molecular Weight260.31 g/mol
Exact Mass260.13
IUPAC Name1-(3-fluorophenyl)-1-(5-methoxy-3-pyridinyl)propan-1-amine
SMILESCCC(N)(c1cccc(F)c1)c1cncc(OC)c1
InChIInChI=1S/C15H17FN2O/c1-3-15(17,11-5-4-6-13(16)7-11)12-8-14(19-2)10-18-9-12/h4-10H,3,17H2,1-2H3
InChIKeyUANHASBMGCZJTI-UHFFFAOYSA-N
XLogP2.84
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.31
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-1-(5-methoxy-3-pyridinyl)propan-1-amine?
The IUPAC name of 1-(3-fluorophenyl)-1-(5-methoxy-3-pyridinyl)propan-1-amine (CID 114872623) is 1-(3-fluorophenyl)-1-(5-methoxy-3-pyridinyl)propan-1-amine.
What is the SMILES notation for 1-(3-fluorophenyl)-1-(5-methoxy-3-pyridinyl)propan-1-amine?
The canonical SMILES for 1-(3-fluorophenyl)-1-(5-methoxy-3-pyridinyl)propan-1-amine is CCC(N)(c1cccc(F)c1)c1cncc(OC)c1.
What is the InChIKey of 1-(3-fluorophenyl)-1-(5-methoxy-3-pyridinyl)propan-1-amine?
The InChIKey is UANHASBMGCZJTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O/c1-3-15(17,11-5-4-6-13(16)7-11)12-8-14(19-2)10-18-9-12/h4-10H,3,17H2,1-2H3.
What are the key properties of 1-(3-fluorophenyl)-1-(5-methoxy-3-pyridinyl)propan-1-amine?
1-(3-fluorophenyl)-1-(5-methoxy-3-pyridinyl)propan-1-amine has a molecular weight of 260.31 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-1-(5-methoxy-3-pyridinyl)propan-1-amine is sourced from PubChem (CID 114872623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).