1-(furan-2-yl)-2-[(4-prop-2-ynoxyphenyl)methylamino]ethanol

C16H17NO3 — CID 111579038

IUPAC1-(furan-2-yl)-2-[(4-prop-2-ynoxyphenyl)methylamino]ethanol
SMILESC#CCOc1ccc(CNCC(O)c2ccco2)cc1
InChIInChI=1S/C16H17NO3/c1-2-9-19-14-7-5-13(6-8-14)11-17-12-15(18)16-4-3-10-20-16/h1,3-8,10,15,17-18H,9,11-12H2
InChIKeyPFZDRAFBJISWKH-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.11
Rot. Bonds7

About 1-(furan-2-yl)-2-[(4-prop-2-ynoxyphenyl)methylamino]ethanol

1-(furan-2-yl)-2-[(4-prop-2-ynoxyphenyl)methylamino]ethanol (PubChem CID 111579038) has the molecular formula C16H17NO3 and a molecular weight of 271.32 g/mol. Its IUPAC name is 1-(furan-2-yl)-2-[(4-prop-2-ynoxyphenyl)methylamino]ethanol.

Molecular Properties

Compound Name1-(furan-2-yl)-2-[(4-prop-2-ynoxyphenyl)methylamino]ethanol
PubChem CID111579038
Molecular FormulaC16H17NO3
Molecular Weight271.32 g/mol
Exact Mass271.12
IUPAC Name1-(furan-2-yl)-2-[(4-prop-2-ynoxyphenyl)methylamino]ethanol
SMILESC#CCOc1ccc(CNCC(O)c2ccco2)cc1
InChIInChI=1S/C16H17NO3/c1-2-9-19-14-7-5-13(6-8-14)11-17-12-15(18)16-4-3-10-20-16/h1,3-8,10,15,17-18H,9,11-12H2
InChIKeyPFZDRAFBJISWKH-UHFFFAOYSA-N
XLogP2.11
TPSA54.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-5-[(4-prop-2-ynoxyphenyl)methylamino]pentan-2-ol
CID 111448736
1-(furan-2-yl)-2-[(4-pyrazol-1-ylphenyl)methylamino]ethanol
CID 86984352
2-[(3-fluoro-4-methylphenyl)methylamino]-1-(furan-2-yl)ethanol
CID 110888245
2-phenyl-N-[(4-prop-2-ynoxyphenyl)methyl]ethanamine
CID 2235790
2-[(3-bromo-4-phenylmethoxyphenyl)methylamino]-1-(furan-2-yl)ethanol
CID 78870232
N-methyl-1-(4-prop-2-ynoxyphenyl)methanamine
CID 60809338
N-[(4-ethoxyphenyl)methyl]-2-(furan-2-yl)-2-pyrrolidin-1-ylethanamine
CID 78805253
(2R)-1-[(3-prop-2-ynoxyphenyl)methylamino]propan-2-ol
CID 94074486
2-[(2,5-dimethoxyphenyl)methylamino]-1-(furan-2-yl)ethanol
CID 110888253
1-(furan-2-yl)-N'-[[4-(2-methoxyethoxy)phenyl]methyl]-N,N-dimethylethane-1,2-diamine
CID 119125227
1-(furan-2-yl)-2-[(4-methyl-1,3-thiazol-5-yl)methylamino]ethanol
CID 71982540
1-(furan-2-yl)-2-[(3-nitrophenyl)methylamino]ethanol
CID 60760616

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-yl)-2-[(4-prop-2-ynoxyphenyl)methylamino]ethanol?
The IUPAC name of 1-(furan-2-yl)-2-[(4-prop-2-ynoxyphenyl)methylamino]ethanol (CID 111579038) is 1-(furan-2-yl)-2-[(4-prop-2-ynoxyphenyl)methylamino]ethanol.
What is the SMILES notation for 1-(furan-2-yl)-2-[(4-prop-2-ynoxyphenyl)methylamino]ethanol?
The canonical SMILES for 1-(furan-2-yl)-2-[(4-prop-2-ynoxyphenyl)methylamino]ethanol is C#CCOc1ccc(CNCC(O)c2ccco2)cc1.
What is the InChIKey of 1-(furan-2-yl)-2-[(4-prop-2-ynoxyphenyl)methylamino]ethanol?
The InChIKey is PFZDRAFBJISWKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3/c1-2-9-19-14-7-5-13(6-8-14)11-17-12-15(18)16-4-3-10-20-16/h1,3-8,10,15,17-18H,9,11-12H2.
What are the key properties of 1-(furan-2-yl)-2-[(4-prop-2-ynoxyphenyl)methylamino]ethanol?
1-(furan-2-yl)-2-[(4-prop-2-ynoxyphenyl)methylamino]ethanol has a molecular weight of 271.32 g/mol, XLogP of 2.11, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-yl)-2-[(4-prop-2-ynoxyphenyl)methylamino]ethanol is sourced from PubChem (CID 111579038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).