2-(3-fluoropropylamino)-1-(4-prop-2-ynoxyphenyl)propan-1-ol

C15H20FNO2 — CID 110185547

IUPAC2-(3-fluoropropylamino)-1-(4-prop-2-ynoxyphenyl)propan-1-ol
SMILESC#CCOc1ccc(C(O)C(C)NCCCF)cc1
InChIInChI=1S/C15H20FNO2/c1-3-11-19-14-7-5-13(6-8-14)15(18)12(2)17-10-4-9-16/h1,5-8,12,15,17-18H,4,9-11H2,2H3
InChIKeyIBUXHFACEJOAIB-UHFFFAOYSA-N
MW265.33 g/mol
LogP2.07
Rot. Bonds8

About 2-(3-fluoropropylamino)-1-(4-prop-2-ynoxyphenyl)propan-1-ol

2-(3-fluoropropylamino)-1-(4-prop-2-ynoxyphenyl)propan-1-ol (PubChem CID 110185547) has the molecular formula C15H20FNO2 and a molecular weight of 265.33 g/mol. Its IUPAC name is 2-(3-fluoropropylamino)-1-(4-prop-2-ynoxyphenyl)propan-1-ol.

Molecular Properties

Compound Name2-(3-fluoropropylamino)-1-(4-prop-2-ynoxyphenyl)propan-1-ol
PubChem CID110185547
Molecular FormulaC15H20FNO2
Molecular Weight265.33 g/mol
Exact Mass265.15
IUPAC Name2-(3-fluoropropylamino)-1-(4-prop-2-ynoxyphenyl)propan-1-ol
SMILESC#CCOc1ccc(C(O)C(C)NCCCF)cc1
InChIInChI=1S/C15H20FNO2/c1-3-11-19-14-7-5-13(6-8-14)15(18)12(2)17-10-4-9-16/h1,5-8,12,15,17-18H,4,9-11H2,2H3
InChIKeyIBUXHFACEJOAIB-UHFFFAOYSA-N
XLogP2.07
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

bis(4-prop-2-ynoxyphenyl)methanol
CID 102483655
1-(4-prop-2-ynoxyphenyl)propane-1,2,3-triol
CID 170819150
2-(butylamino)-1-(4-methoxyphenyl)propan-1-ol
CID 82313866
4-[[1-(4-ethoxyphenyl)-1-hydroxypropan-2-yl]amino]butanoic acid
CID 82314024
2-(butylamino)-1-(4-propan-2-yloxyphenyl)propan-1-ol
CID 82314177
(1R)-1-(4-prop-2-ynoxyphenyl)ethanamine
CID 63367592
(1S,2R)-2-(2-phenylethylamino)-1-(4-phenylmethoxyphenyl)propan-1-ol
CID 69303183
(1S)-1-[4-(3-fluoropropoxy)phenyl]ethanol
CID 81113862
3-fluoro-N-[(1S)-1-(4-methoxyphenyl)ethyl]propan-1-amine
CID 81370417
1-(4-bromophenyl)-2-(3-hydroxypropylamino)propan-1-ol
CID 82312926
2-[(4-prop-2-ynoxyphenyl)methylamino]propan-1-ol
CID 115656403
N-ethyl-1-(4-prop-2-ynoxyphenyl)propan-2-amine
CID 115495069

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoropropylamino)-1-(4-prop-2-ynoxyphenyl)propan-1-ol?
The IUPAC name of 2-(3-fluoropropylamino)-1-(4-prop-2-ynoxyphenyl)propan-1-ol (CID 110185547) is 2-(3-fluoropropylamino)-1-(4-prop-2-ynoxyphenyl)propan-1-ol.
What is the SMILES notation for 2-(3-fluoropropylamino)-1-(4-prop-2-ynoxyphenyl)propan-1-ol?
The canonical SMILES for 2-(3-fluoropropylamino)-1-(4-prop-2-ynoxyphenyl)propan-1-ol is C#CCOc1ccc(C(O)C(C)NCCCF)cc1.
What is the InChIKey of 2-(3-fluoropropylamino)-1-(4-prop-2-ynoxyphenyl)propan-1-ol?
The InChIKey is IBUXHFACEJOAIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO2/c1-3-11-19-14-7-5-13(6-8-14)15(18)12(2)17-10-4-9-16/h1,5-8,12,15,17-18H,4,9-11H2,2H3.
What are the key properties of 2-(3-fluoropropylamino)-1-(4-prop-2-ynoxyphenyl)propan-1-ol?
2-(3-fluoropropylamino)-1-(4-prop-2-ynoxyphenyl)propan-1-ol has a molecular weight of 265.33 g/mol, XLogP of 2.07, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoropropylamino)-1-(4-prop-2-ynoxyphenyl)propan-1-ol is sourced from PubChem (CID 110185547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).