1-(4-fluorophenyl)-4-(3-methoxy-3,6-dihydro-2H-pyridin-1-yl)butan-1-amine

C16H23FN2O — CID 140969173

IUPAC1-(4-fluorophenyl)-4-(3-methoxy-3,6-dihydro-2H-pyridin-1-yl)butan-1-amine
SMILESCOC1C=CCN(CCCC(N)c2ccc(F)cc2)C1
InChIInChI=1S/C16H23FN2O/c1-20-15-4-2-10-19(12-15)11-3-5-16(18)13-6-8-14(17)9-7-13/h2,4,6-9,15-16H,3,5,10-12,18H2,1H3
InChIKeyJGDPKVMCXBPGDS-UHFFFAOYSA-N
MW278.37 g/mol
LogP2.49
Rot. Bonds6

About 1-(4-fluorophenyl)-4-(3-methoxy-3,6-dihydro-2H-pyridin-1-yl)butan-1-amine

1-(4-fluorophenyl)-4-(3-methoxy-3,6-dihydro-2H-pyridin-1-yl)butan-1-amine (PubChem CID 140969173) has the molecular formula C16H23FN2O and a molecular weight of 278.37 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-4-(3-methoxy-3,6-dihydro-2H-pyridin-1-yl)butan-1-amine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-4-(3-methoxy-3,6-dihydro-2H-pyridin-1-yl)butan-1-amine
PubChem CID140969173
Molecular FormulaC16H23FN2O
Molecular Weight278.37 g/mol
Exact Mass278.18
IUPAC Name1-(4-fluorophenyl)-4-(3-methoxy-3,6-dihydro-2H-pyridin-1-yl)butan-1-amine
SMILESCOC1C=CCN(CCCC(N)c2ccc(F)cc2)C1
InChIInChI=1S/C16H23FN2O/c1-20-15-4-2-10-19(12-15)11-3-5-16(18)13-6-8-14(17)9-7-13/h2,4,6-9,15-16H,3,5,10-12,18H2,1H3
InChIKeyJGDPKVMCXBPGDS-UHFFFAOYSA-N
XLogP2.49
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.37
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-4-(3-methoxy-3,6-dihydro-2H-pyridin-1-yl)butan-1-amine?
The IUPAC name of 1-(4-fluorophenyl)-4-(3-methoxy-3,6-dihydro-2H-pyridin-1-yl)butan-1-amine (CID 140969173) is 1-(4-fluorophenyl)-4-(3-methoxy-3,6-dihydro-2H-pyridin-1-yl)butan-1-amine.
What is the SMILES notation for 1-(4-fluorophenyl)-4-(3-methoxy-3,6-dihydro-2H-pyridin-1-yl)butan-1-amine?
The canonical SMILES for 1-(4-fluorophenyl)-4-(3-methoxy-3,6-dihydro-2H-pyridin-1-yl)butan-1-amine is COC1C=CCN(CCCC(N)c2ccc(F)cc2)C1.
What is the InChIKey of 1-(4-fluorophenyl)-4-(3-methoxy-3,6-dihydro-2H-pyridin-1-yl)butan-1-amine?
The InChIKey is JGDPKVMCXBPGDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O/c1-20-15-4-2-10-19(12-15)11-3-5-16(18)13-6-8-14(17)9-7-13/h2,4,6-9,15-16H,3,5,10-12,18H2,1H3.
What are the key properties of 1-(4-fluorophenyl)-4-(3-methoxy-3,6-dihydro-2H-pyridin-1-yl)butan-1-amine?
1-(4-fluorophenyl)-4-(3-methoxy-3,6-dihydro-2H-pyridin-1-yl)butan-1-amine has a molecular weight of 278.37 g/mol, XLogP of 2.49, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-4-(3-methoxy-3,6-dihydro-2H-pyridin-1-yl)butan-1-amine is sourced from PubChem (CID 140969173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).