1-(3-amino-4-fluorophenyl)-3-cyclopropyl-1-pyridin-3-ylpropan-1-ol

C17H19FN2O — CID 123163393

IUPAC1-(3-amino-4-fluorophenyl)-3-cyclopropyl-1-pyridin-3-ylpropan-1-ol
SMILESNc1cc(C(O)(CCC2CC2)c2cccnc2)ccc1F
InChIInChI=1S/C17H19FN2O/c18-15-6-5-13(10-16(15)19)17(21,8-7-12-3-4-12)14-2-1-9-20-11-14/h1-2,5-6,9-12,21H,3-4,7-8,19H2
InChIKeyVLODDNPDXGRHKQ-UHFFFAOYSA-N
MW286.35 g/mol
LogP3.23
Rot. Bonds5

About 1-(3-amino-4-fluorophenyl)-3-cyclopropyl-1-pyridin-3-ylpropan-1-ol

1-(3-amino-4-fluorophenyl)-3-cyclopropyl-1-pyridin-3-ylpropan-1-ol (PubChem CID 123163393) has the molecular formula C17H19FN2O and a molecular weight of 286.35 g/mol. Its IUPAC name is 1-(3-amino-4-fluorophenyl)-3-cyclopropyl-1-pyridin-3-ylpropan-1-ol.

Molecular Properties

Compound Name1-(3-amino-4-fluorophenyl)-3-cyclopropyl-1-pyridin-3-ylpropan-1-ol
PubChem CID123163393
Molecular FormulaC17H19FN2O
Molecular Weight286.35 g/mol
Exact Mass286.15
IUPAC Name1-(3-amino-4-fluorophenyl)-3-cyclopropyl-1-pyridin-3-ylpropan-1-ol
SMILESNc1cc(C(O)(CCC2CC2)c2cccnc2)ccc1F
InChIInChI=1S/C17H19FN2O/c18-15-6-5-13(10-16(15)19)17(21,8-7-12-3-4-12)14-2-1-9-20-11-14/h1-2,5-6,9-12,21H,3-4,7-8,19H2
InChIKeyVLODDNPDXGRHKQ-UHFFFAOYSA-N
XLogP3.23
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-4-fluorophenyl)-3-cyclopropyl-1-pyridin-3-ylpropan-1-ol?
The IUPAC name of 1-(3-amino-4-fluorophenyl)-3-cyclopropyl-1-pyridin-3-ylpropan-1-ol (CID 123163393) is 1-(3-amino-4-fluorophenyl)-3-cyclopropyl-1-pyridin-3-ylpropan-1-ol.
What is the SMILES notation for 1-(3-amino-4-fluorophenyl)-3-cyclopropyl-1-pyridin-3-ylpropan-1-ol?
The canonical SMILES for 1-(3-amino-4-fluorophenyl)-3-cyclopropyl-1-pyridin-3-ylpropan-1-ol is Nc1cc(C(O)(CCC2CC2)c2cccnc2)ccc1F.
What is the InChIKey of 1-(3-amino-4-fluorophenyl)-3-cyclopropyl-1-pyridin-3-ylpropan-1-ol?
The InChIKey is VLODDNPDXGRHKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O/c18-15-6-5-13(10-16(15)19)17(21,8-7-12-3-4-12)14-2-1-9-20-11-14/h1-2,5-6,9-12,21H,3-4,7-8,19H2.
What are the key properties of 1-(3-amino-4-fluorophenyl)-3-cyclopropyl-1-pyridin-3-ylpropan-1-ol?
1-(3-amino-4-fluorophenyl)-3-cyclopropyl-1-pyridin-3-ylpropan-1-ol has a molecular weight of 286.35 g/mol, XLogP of 3.23, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-4-fluorophenyl)-3-cyclopropyl-1-pyridin-3-ylpropan-1-ol is sourced from PubChem (CID 123163393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).