1-(4-fluorophenyl)-2-(pent-4-ynylamino)ethanol

C13H16FNO — CID 106221436

IUPAC1-(4-fluorophenyl)-2-(pent-4-ynylamino)ethanol
SMILESC#CCCCNCC(O)c1ccc(F)cc1
InChIInChI=1S/C13H16FNO/c1-2-3-4-9-15-10-13(16)11-5-7-12(14)8-6-11/h1,5-8,13,15-16H,3-4,9-10H2
InChIKeyZXBBIISGTXKCEM-UHFFFAOYSA-N
MW221.28 g/mol
LogP1.86
Rot. Bonds6

About 1-(4-fluorophenyl)-2-(pent-4-ynylamino)ethanol

1-(4-fluorophenyl)-2-(pent-4-ynylamino)ethanol (PubChem CID 106221436) has the molecular formula C13H16FNO and a molecular weight of 221.28 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-2-(pent-4-ynylamino)ethanol.

Molecular Properties

Compound Name1-(4-fluorophenyl)-2-(pent-4-ynylamino)ethanol
PubChem CID106221436
Molecular FormulaC13H16FNO
Molecular Weight221.28 g/mol
Exact Mass221.12
IUPAC Name1-(4-fluorophenyl)-2-(pent-4-ynylamino)ethanol
SMILESC#CCCCNCC(O)c1ccc(F)cc1
InChIInChI=1S/C13H16FNO/c1-2-3-4-9-15-10-13(16)11-5-7-12(14)8-6-11/h1,5-8,13,15-16H,3-4,9-10H2
InChIKeyZXBBIISGTXKCEM-UHFFFAOYSA-N
XLogP1.86
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.28
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

2-(pent-4-ynylamino)-1-[3-(trifluoromethyl)phenyl]ethanol
CID 106221281
1-(4-fluorophenyl)-2-(3-methylbutylamino)ethanol
CID 60714901
4-[[2-(4-fluorophenyl)-2-hydroxyethyl]amino]butan-2-ol
CID 64912479
1-(4-fluorophenyl)-2-(2-methylpropylamino)ethanol
CID 54594094
1-(4-fluorophenyl)-2-[2-(trifluoromethylsulfanyl)ethylamino]ethanol
CID 114187755
1-(2,5-dichlorophenyl)-2-(pent-4-ynylamino)ethanol
CID 114160110
1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-prop-2-ynylurea
CID 110893329
N-[2-[[2-(4-fluorophenyl)-2-hydroxyethyl]amino]ethyl]methanesulfonamide
CID 54938767
(1S)-1-(4-fluorophenyl)-2-(propan-2-ylamino)ethanol
CID 42553259
1-(4-fluorophenyl)-2-(2-thiomorpholin-4-ylethylamino)ethanol
CID 106325448
2-(4-fluoroanilino)-1-(4-fluorophenyl)ethanol
CID 60719916
4-[[2-(3,4-dihydroxyphenyl)-2-hydroxyethyl]amino]butanenitrile
CID 19069896

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-2-(pent-4-ynylamino)ethanol?
The IUPAC name of 1-(4-fluorophenyl)-2-(pent-4-ynylamino)ethanol (CID 106221436) is 1-(4-fluorophenyl)-2-(pent-4-ynylamino)ethanol.
What is the SMILES notation for 1-(4-fluorophenyl)-2-(pent-4-ynylamino)ethanol?
The canonical SMILES for 1-(4-fluorophenyl)-2-(pent-4-ynylamino)ethanol is C#CCCCNCC(O)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-2-(pent-4-ynylamino)ethanol?
The InChIKey is ZXBBIISGTXKCEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO/c1-2-3-4-9-15-10-13(16)11-5-7-12(14)8-6-11/h1,5-8,13,15-16H,3-4,9-10H2.
What are the key properties of 1-(4-fluorophenyl)-2-(pent-4-ynylamino)ethanol?
1-(4-fluorophenyl)-2-(pent-4-ynylamino)ethanol has a molecular weight of 221.28 g/mol, XLogP of 1.86, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-2-(pent-4-ynylamino)ethanol is sourced from PubChem (CID 106221436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).