3-[[3-(4-fluorophenyl)-3-pyridin-4-ylpropyl]amino]propan-1-ol

C17H21FN2O — CID 18354689

IUPAC3-[[3-(4-fluorophenyl)-3-pyridin-4-ylpropyl]amino]propan-1-ol
SMILESOCCCNCCC(c1ccncc1)c1ccc(F)cc1
InChIInChI=1S/C17H21FN2O/c18-16-4-2-14(3-5-16)17(8-12-19-9-1-13-21)15-6-10-20-11-7-15/h2-7,10-11,17,19,21H,1,8-9,12-13H2
InChIKeyFJBYKKWZURKQLY-UHFFFAOYSA-N
MW288.37 g/mol
LogP2.71
Rot. Bonds8

About 3-[[3-(4-fluorophenyl)-3-pyridin-4-ylpropyl]amino]propan-1-ol

3-[[3-(4-fluorophenyl)-3-pyridin-4-ylpropyl]amino]propan-1-ol (PubChem CID 18354689) has the molecular formula C17H21FN2O and a molecular weight of 288.37 g/mol. Its IUPAC name is 3-[[3-(4-fluorophenyl)-3-pyridin-4-ylpropyl]amino]propan-1-ol.

Molecular Properties

Compound Name3-[[3-(4-fluorophenyl)-3-pyridin-4-ylpropyl]amino]propan-1-ol
PubChem CID18354689
Molecular FormulaC17H21FN2O
Molecular Weight288.37 g/mol
Exact Mass288.16
IUPAC Name3-[[3-(4-fluorophenyl)-3-pyridin-4-ylpropyl]amino]propan-1-ol
SMILESOCCCNCCC(c1ccncc1)c1ccc(F)cc1
InChIInChI=1S/C17H21FN2O/c18-16-4-2-14(3-5-16)17(8-12-19-9-1-13-21)15-6-10-20-11-7-15/h2-7,10-11,17,19,21H,1,8-9,12-13H2
InChIKeyFJBYKKWZURKQLY-UHFFFAOYSA-N
XLogP2.71
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3S)-3-phenyl-3-pyridin-4-ylpropan-1-ol
CID 26792906
4-[3-(4-fluorophenyl)-3-pyridin-4-ylpropyl]-2,6-dimethylmorpholine
CID 18354657
3-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]-3-(4-propan-2-yloxyphenyl)propan-1-amine
CID 5032799
1-(4-fluorophenyl)-3-(heptylamino)propan-1-ol;hydrochloride
CID 19892143
5-(2-pyridin-4-ylethylamino)pentan-1-ol
CID 62228451
1-(4-fluorophenyl)-2-pyridin-4-ylethanol
CID 62553094
6-[[(1R)-1-pyridin-4-ylethyl]amino]hexan-1-ol
CID 107703538
5-[[(1S)-1-pyridin-4-ylethyl]amino]pentan-1-ol
CID 81410455
N-[(4-fluorophenyl)-pyridin-4-ylmethyl]-2-phenylacetamide
CID 110442330
N'-dodecyl-1-(4-fluorophenyl)propane-1,3-diamine
CID 10088401
1-(4-fluorophenyl)-2-[[(1R)-1-pyridin-4-ylethyl]amino]ethanol
CID 81410736
3-(4-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-3-(4-propan-2-yloxyphenyl)propan-1-amine
CID 5122382

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(4-fluorophenyl)-3-pyridin-4-ylpropyl]amino]propan-1-ol?
The IUPAC name of 3-[[3-(4-fluorophenyl)-3-pyridin-4-ylpropyl]amino]propan-1-ol (CID 18354689) is 3-[[3-(4-fluorophenyl)-3-pyridin-4-ylpropyl]amino]propan-1-ol.
What is the SMILES notation for 3-[[3-(4-fluorophenyl)-3-pyridin-4-ylpropyl]amino]propan-1-ol?
The canonical SMILES for 3-[[3-(4-fluorophenyl)-3-pyridin-4-ylpropyl]amino]propan-1-ol is OCCCNCCC(c1ccncc1)c1ccc(F)cc1.
What is the InChIKey of 3-[[3-(4-fluorophenyl)-3-pyridin-4-ylpropyl]amino]propan-1-ol?
The InChIKey is FJBYKKWZURKQLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN2O/c18-16-4-2-14(3-5-16)17(8-12-19-9-1-13-21)15-6-10-20-11-7-15/h2-7,10-11,17,19,21H,1,8-9,12-13H2.
What are the key properties of 3-[[3-(4-fluorophenyl)-3-pyridin-4-ylpropyl]amino]propan-1-ol?
3-[[3-(4-fluorophenyl)-3-pyridin-4-ylpropyl]amino]propan-1-ol has a molecular weight of 288.37 g/mol, XLogP of 2.71, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(4-fluorophenyl)-3-pyridin-4-ylpropyl]amino]propan-1-ol is sourced from PubChem (CID 18354689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).