2-amino-1-(2,5-dimethoxy-4-methylsulfanylphenyl)ethanol

C11H17NO3S — CID 117360537

IUPAC2-amino-1-(2,5-dimethoxy-4-methylsulfanylphenyl)ethanol
SMILESCOc1cc(C(O)CN)c(OC)cc1SC
InChIInChI=1S/C11H17NO3S/c1-14-9-5-11(16-3)10(15-2)4-7(9)8(13)6-12/h4-5,8,13H,6,12H2,1-3H3
InChIKeyKFOJLZRLKLCOLM-UHFFFAOYSA-N
MW243.33 g/mol
LogP1.42
Rot. Bonds5

About 2-amino-1-(2,5-dimethoxy-4-methylsulfanylphenyl)ethanol

2-amino-1-(2,5-dimethoxy-4-methylsulfanylphenyl)ethanol (PubChem CID 117360537) has the molecular formula C11H17NO3S and a molecular weight of 243.33 g/mol. Its IUPAC name is 2-amino-1-(2,5-dimethoxy-4-methylsulfanylphenyl)ethanol.

Molecular Properties

Compound Name2-amino-1-(2,5-dimethoxy-4-methylsulfanylphenyl)ethanol
PubChem CID117360537
Molecular FormulaC11H17NO3S
Molecular Weight243.33 g/mol
Exact Mass243.09
IUPAC Name2-amino-1-(2,5-dimethoxy-4-methylsulfanylphenyl)ethanol
SMILESCOc1cc(C(O)CN)c(OC)cc1SC
InChIInChI=1S/C11H17NO3S/c1-14-9-5-11(16-3)10(15-2)4-7(9)8(13)6-12/h4-5,8,13H,6,12H2,1-3H3
InChIKeyKFOJLZRLKLCOLM-UHFFFAOYSA-N
XLogP1.42
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(1R)-2-amino-1-(2,4,5-trimethoxyphenyl)ethanol
CID 28743465
1-(2,5-dimethoxy-4-methylsulfanylphenyl)-2-(methylamino)ethanol
CID 117397134
3-amino-2-(2,5-dimethoxy-4-methylsulfanylphenyl)propan-1-ol
CID 116835417
1,4-dimethoxy-2,5-bis(methylsulfanyl)benzene
CID 2802745
2-amino-1-(5-bromo-2,4-dimethoxyphenyl)ethanol
CID 84714352
2-(2,5-dimethoxy-4-methylsulfanylphenyl)propanoic acid
CID 117394352
2-amino-1-[5-(difluoromethyl)-2,4-dimethoxyphenyl]ethanol
CID 117369699
2-amino-1-[2,4-dimethoxy-5-(methoxymethyl)phenyl]ethanol
CID 117355258
2-amino-1-(4-methoxy-2-methylsulfanylphenyl)ethanol
CID 84782931
2-amino-1-(2,5-difluoro-4-methylsulfanylphenyl)ethanol
CID 117312254
N'-(2,5-dimethoxy-4-methylsulfanylphenyl)methanediamine
CID 115225488
2-amino-1-[4,5-dimethoxy-2-(methoxymethyl)phenyl]ethanol
CID 117355259

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(2,5-dimethoxy-4-methylsulfanylphenyl)ethanol?
The IUPAC name of 2-amino-1-(2,5-dimethoxy-4-methylsulfanylphenyl)ethanol (CID 117360537) is 2-amino-1-(2,5-dimethoxy-4-methylsulfanylphenyl)ethanol.
What is the SMILES notation for 2-amino-1-(2,5-dimethoxy-4-methylsulfanylphenyl)ethanol?
The canonical SMILES for 2-amino-1-(2,5-dimethoxy-4-methylsulfanylphenyl)ethanol is COc1cc(C(O)CN)c(OC)cc1SC.
What is the InChIKey of 2-amino-1-(2,5-dimethoxy-4-methylsulfanylphenyl)ethanol?
The InChIKey is KFOJLZRLKLCOLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3S/c1-14-9-5-11(16-3)10(15-2)4-7(9)8(13)6-12/h4-5,8,13H,6,12H2,1-3H3.
What are the key properties of 2-amino-1-(2,5-dimethoxy-4-methylsulfanylphenyl)ethanol?
2-amino-1-(2,5-dimethoxy-4-methylsulfanylphenyl)ethanol has a molecular weight of 243.33 g/mol, XLogP of 1.42, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(2,5-dimethoxy-4-methylsulfanylphenyl)ethanol is sourced from PubChem (CID 117360537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).