N-[(4-fluorophenyl)methyl]-4-(3-methoxyoxiran-2-yl)pyridin-3-amine

C15H15FN2O2 — CID 154979594

IUPACN-[(4-fluorophenyl)methyl]-4-(3-methoxyoxiran-2-yl)pyridin-3-amine
SMILESCOC1OC1c1ccncc1NCc1ccc(F)cc1
InChIInChI=1S/C15H15FN2O2/c1-19-15-14(20-15)12-6-7-17-9-13(12)18-8-10-2-4-11(16)5-3-10/h2-7,9,14-15,18H,8H2,1H3
InChIKeyVCAFHKLFBFXIDM-UHFFFAOYSA-N
MW274.30 g/mol
LogP2.88
Rot. Bonds5

About N-[(4-fluorophenyl)methyl]-4-(3-methoxyoxiran-2-yl)pyridin-3-amine

N-[(4-fluorophenyl)methyl]-4-(3-methoxyoxiran-2-yl)pyridin-3-amine (PubChem CID 154979594) has the molecular formula C15H15FN2O2 and a molecular weight of 274.30 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-4-(3-methoxyoxiran-2-yl)pyridin-3-amine.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-4-(3-methoxyoxiran-2-yl)pyridin-3-amine
PubChem CID154979594
Molecular FormulaC15H15FN2O2
Molecular Weight274.30 g/mol
Exact Mass274.11
IUPAC NameN-[(4-fluorophenyl)methyl]-4-(3-methoxyoxiran-2-yl)pyridin-3-amine
SMILESCOC1OC1c1ccncc1NCc1ccc(F)cc1
InChIInChI=1S/C15H15FN2O2/c1-19-15-14(20-15)12-6-7-17-9-13(12)18-8-10-2-4-11(16)5-3-10/h2-7,9,14-15,18H,8H2,1H3
InChIKeyVCAFHKLFBFXIDM-UHFFFAOYSA-N
XLogP2.88
TPSA46.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.30
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-4-(3-methoxyoxiran-2-yl)pyridin-3-amine?
The IUPAC name of N-[(4-fluorophenyl)methyl]-4-(3-methoxyoxiran-2-yl)pyridin-3-amine (CID 154979594) is N-[(4-fluorophenyl)methyl]-4-(3-methoxyoxiran-2-yl)pyridin-3-amine.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-4-(3-methoxyoxiran-2-yl)pyridin-3-amine?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-4-(3-methoxyoxiran-2-yl)pyridin-3-amine is COC1OC1c1ccncc1NCc1ccc(F)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-4-(3-methoxyoxiran-2-yl)pyridin-3-amine?
The InChIKey is VCAFHKLFBFXIDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O2/c1-19-15-14(20-15)12-6-7-17-9-13(12)18-8-10-2-4-11(16)5-3-10/h2-7,9,14-15,18H,8H2,1H3.
What are the key properties of N-[(4-fluorophenyl)methyl]-4-(3-methoxyoxiran-2-yl)pyridin-3-amine?
N-[(4-fluorophenyl)methyl]-4-(3-methoxyoxiran-2-yl)pyridin-3-amine has a molecular weight of 274.30 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-4-(3-methoxyoxiran-2-yl)pyridin-3-amine is sourced from PubChem (CID 154979594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).