2-amino-1-[3-methoxy-2-(thiolan-3-yloxy)phenyl]ethanol

C13H19NO3S — CID 117426819

IUPAC2-amino-1-[3-methoxy-2-(thiolan-3-yloxy)phenyl]ethanol
SMILESCOc1cccc(C(O)CN)c1OC1CCSC1
InChIInChI=1S/C13H19NO3S/c1-16-12-4-2-3-10(11(15)7-14)13(12)17-9-5-6-18-8-9/h2-4,9,11,15H,5-8,14H2,1H3
InChIKeySRKVTYDBKHBXAT-UHFFFAOYSA-N
MW269.37 g/mol
LogP1.57
Rot. Bonds5

About 2-amino-1-[3-methoxy-2-(thiolan-3-yloxy)phenyl]ethanol

2-amino-1-[3-methoxy-2-(thiolan-3-yloxy)phenyl]ethanol (PubChem CID 117426819) has the molecular formula C13H19NO3S and a molecular weight of 269.37 g/mol. Its IUPAC name is 2-amino-1-[3-methoxy-2-(thiolan-3-yloxy)phenyl]ethanol.

Molecular Properties

Compound Name2-amino-1-[3-methoxy-2-(thiolan-3-yloxy)phenyl]ethanol
PubChem CID117426819
Molecular FormulaC13H19NO3S
Molecular Weight269.37 g/mol
Exact Mass269.11
IUPAC Name2-amino-1-[3-methoxy-2-(thiolan-3-yloxy)phenyl]ethanol
SMILESCOc1cccc(C(O)CN)c1OC1CCSC1
InChIInChI=1S/C13H19NO3S/c1-16-12-4-2-3-10(11(15)7-14)13(12)17-9-5-6-18-8-9/h2-4,9,11,15H,5-8,14H2,1H3
InChIKeySRKVTYDBKHBXAT-UHFFFAOYSA-N
XLogP1.57
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-3-[3-methoxy-2-(thiolan-3-yloxy)phenyl]propanoic acid
CID 117478973
2-[3-methoxy-2-(thiolan-3-yloxy)phenyl]acetic acid
CID 117424669
1-[[3-methoxy-2-(thiolan-3-yloxy)phenyl]methyl]cyclopropan-1-amine
CID 117448469
1-[3-methoxy-2-(thiolan-3-yloxy)phenyl]propan-2-one
CID 117420326
3-[3-methoxy-2-(thiolan-3-yloxy)phenyl]propanoic acid
CID 117453883
1-[1-[3-methoxy-2-(thiolan-3-yloxy)phenyl]cyclopropyl]ethanamine
CID 117473681
2-(2-cyclobutyloxy-3-methoxyphenyl)propan-1-amine
CID 117343383
1-[3-methoxy-2-(thiolan-3-yloxy)phenyl]cyclobutan-1-amine
CID 117448431
3-[3-methoxy-2-(thian-4-yloxy)phenyl]butanal
CID 117475105
(E)-3-[2-methoxy-3-(thiolan-3-yloxy)phenyl]prop-2-en-1-amine
CID 117418040
1-[3-methoxy-2-(1-methylpiperidin-3-yl)oxyphenyl]-2-(methylamino)ethanol
CID 117475037
2-[2-(thiolan-3-yloxy)phenyl]propan-1-ol
CID 117349636

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[3-methoxy-2-(thiolan-3-yloxy)phenyl]ethanol?
The IUPAC name of 2-amino-1-[3-methoxy-2-(thiolan-3-yloxy)phenyl]ethanol (CID 117426819) is 2-amino-1-[3-methoxy-2-(thiolan-3-yloxy)phenyl]ethanol.
What is the SMILES notation for 2-amino-1-[3-methoxy-2-(thiolan-3-yloxy)phenyl]ethanol?
The canonical SMILES for 2-amino-1-[3-methoxy-2-(thiolan-3-yloxy)phenyl]ethanol is COc1cccc(C(O)CN)c1OC1CCSC1.
What is the InChIKey of 2-amino-1-[3-methoxy-2-(thiolan-3-yloxy)phenyl]ethanol?
The InChIKey is SRKVTYDBKHBXAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3S/c1-16-12-4-2-3-10(11(15)7-14)13(12)17-9-5-6-18-8-9/h2-4,9,11,15H,5-8,14H2,1H3.
What are the key properties of 2-amino-1-[3-methoxy-2-(thiolan-3-yloxy)phenyl]ethanol?
2-amino-1-[3-methoxy-2-(thiolan-3-yloxy)phenyl]ethanol has a molecular weight of 269.37 g/mol, XLogP of 1.57, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[3-methoxy-2-(thiolan-3-yloxy)phenyl]ethanol is sourced from PubChem (CID 117426819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).