2-amino-2-[3-methoxy-2-(oxolan-3-yloxy)phenyl]ethanol

C13H19NO4 — CID 115005257

IUPAC2-amino-2-[3-methoxy-2-(oxolan-3-yloxy)phenyl]ethanol
SMILESCOc1cccc(C(N)CO)c1OC1CCOC1
InChIInChI=1S/C13H19NO4/c1-16-12-4-2-3-10(11(14)7-15)13(12)18-9-5-6-17-8-9/h2-4,9,11,15H,5-8,14H2,1H3
InChIKeyUFQJJUKLKGWOHN-UHFFFAOYSA-N
MW253.30 g/mol
LogP0.86
Rot. Bonds5

About 2-amino-2-[3-methoxy-2-(oxolan-3-yloxy)phenyl]ethanol

2-amino-2-[3-methoxy-2-(oxolan-3-yloxy)phenyl]ethanol (PubChem CID 115005257) has the molecular formula C13H19NO4 and a molecular weight of 253.30 g/mol. Its IUPAC name is 2-amino-2-[3-methoxy-2-(oxolan-3-yloxy)phenyl]ethanol.

Molecular Properties

Compound Name2-amino-2-[3-methoxy-2-(oxolan-3-yloxy)phenyl]ethanol
PubChem CID115005257
Molecular FormulaC13H19NO4
Molecular Weight253.30 g/mol
Exact Mass253.13
IUPAC Name2-amino-2-[3-methoxy-2-(oxolan-3-yloxy)phenyl]ethanol
SMILESCOc1cccc(C(N)CO)c1OC1CCOC1
InChIInChI=1S/C13H19NO4/c1-16-12-4-2-3-10(11(14)7-15)13(12)18-9-5-6-17-8-9/h2-4,9,11,15H,5-8,14H2,1H3
InChIKeyUFQJJUKLKGWOHN-UHFFFAOYSA-N
XLogP0.86
TPSA73.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-methoxy-2-(oxolan-3-yloxy)phenyl]ethanol
CID 117349251
3-[3-methoxy-2-(oxolan-3-yloxy)phenyl]butan-1-amine
CID 117417553
2-[3-methoxy-2-(oxan-4-yloxy)phenyl]propan-1-ol
CID 117420074
[3-methoxy-2-(oxolan-3-yloxy)phenyl]methanol
CID 63558981
(2S)-2-amino-2-(2,3-dimethoxyphenyl)ethanol
CID 55278202
2-amino-2-(2-ethoxy-3-methoxyphenyl)ethanol
CID 77130049
[2-methoxy-3-(oxolan-3-yloxy)phenyl]methanol
CID 84689080
1-[3-methoxy-2-(oxan-3-yloxy)phenyl]propan-2-amine
CID 107137119
(3S)-3-(2-methoxyphenoxy)oxolane
CID 141103497
2-amino-2-(2-methoxyphenyl)ethanol
CID 10352062
2-hydroxy-2-[2-methoxy-3-(oxolan-3-yloxy)phenyl]acetic acid
CID 117424076
ethyl 2-hydroxy-2-[3-methoxy-2-(oxetan-3-yloxy)phenyl]acetate
CID 117453495

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-[3-methoxy-2-(oxolan-3-yloxy)phenyl]ethanol?
The IUPAC name of 2-amino-2-[3-methoxy-2-(oxolan-3-yloxy)phenyl]ethanol (CID 115005257) is 2-amino-2-[3-methoxy-2-(oxolan-3-yloxy)phenyl]ethanol.
What is the SMILES notation for 2-amino-2-[3-methoxy-2-(oxolan-3-yloxy)phenyl]ethanol?
The canonical SMILES for 2-amino-2-[3-methoxy-2-(oxolan-3-yloxy)phenyl]ethanol is COc1cccc(C(N)CO)c1OC1CCOC1.
What is the InChIKey of 2-amino-2-[3-methoxy-2-(oxolan-3-yloxy)phenyl]ethanol?
The InChIKey is UFQJJUKLKGWOHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO4/c1-16-12-4-2-3-10(11(14)7-15)13(12)18-9-5-6-17-8-9/h2-4,9,11,15H,5-8,14H2,1H3.
What are the key properties of 2-amino-2-[3-methoxy-2-(oxolan-3-yloxy)phenyl]ethanol?
2-amino-2-[3-methoxy-2-(oxolan-3-yloxy)phenyl]ethanol has a molecular weight of 253.30 g/mol, XLogP of 0.86, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-[3-methoxy-2-(oxolan-3-yloxy)phenyl]ethanol is sourced from PubChem (CID 115005257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).