2-(4-amino-3-methoxyphenyl)sulfanylethanol

C9H13NO2S — CID 63676763

IUPAC2-(4-amino-3-methoxyphenyl)sulfanylethanol
SMILESCOc1cc(SCCO)ccc1N
InChIInChI=1S/C9H13NO2S/c1-12-9-6-7(13-5-4-11)2-3-8(9)10/h2-3,6,11H,4-5,10H2,1H3
InChIKeyNXLVZGFCTYRLNX-UHFFFAOYSA-N
MW199.27 g/mol
LogP1.36
Rot. Bonds4

About 2-(4-amino-3-methoxyphenyl)sulfanylethanol

2-(4-amino-3-methoxyphenyl)sulfanylethanol (PubChem CID 63676763) has the molecular formula C9H13NO2S and a molecular weight of 199.27 g/mol. Its IUPAC name is 2-(4-amino-3-methoxyphenyl)sulfanylethanol.

Molecular Properties

Compound Name2-(4-amino-3-methoxyphenyl)sulfanylethanol
PubChem CID63676763
Molecular FormulaC9H13NO2S
Molecular Weight199.27 g/mol
Exact Mass199.07
IUPAC Name2-(4-amino-3-methoxyphenyl)sulfanylethanol
SMILESCOc1cc(SCCO)ccc1N
InChIInChI=1S/C9H13NO2S/c1-12-9-6-7(13-5-4-11)2-3-8(9)10/h2-3,6,11H,4-5,10H2,1H3
InChIKeyNXLVZGFCTYRLNX-UHFFFAOYSA-N
XLogP1.36
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.27
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(4-amino-3-ethoxyphenyl)sulfanylethanol
CID 63676764
3-(4-amino-3-ethoxyphenyl)sulfanylpropan-1-ol
CID 66114932
4-(2-methoxyethylsulfanyl)-2-propan-2-yloxyaniline
CID 83002282
2-methoxy-5-propylsulfanylaniline
CID 97035009
4-(4-amino-3-methoxyphenyl)sulfanylphenol
CID 91879711
2-ethoxy-4-propylsulfanylaniline
CID 63677395
2-(3-methoxyphenyl)sulfanylethanol
CID 2759720
3-(3-chloro-4-methoxyphenyl)sulfanylpropan-1-ol
CID 117033419
4-(3-methylbutylsulfanyl)-2-propan-2-yloxyaniline
CID 107748158
methyl 2-amino-5-(3-hydroxypropylsulfanyl)benzoate
CID 66128946
N-(3-amino-4-methoxyphenyl)-3-(3,4-dimethoxyphenyl)sulfanylpropanamide
CID 119419905
bis[2-(4-hydroxy-3-methoxyphenyl)sulfanylethyl] propanedioate
CID 54504553

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-3-methoxyphenyl)sulfanylethanol?
The IUPAC name of 2-(4-amino-3-methoxyphenyl)sulfanylethanol (CID 63676763) is 2-(4-amino-3-methoxyphenyl)sulfanylethanol.
What is the SMILES notation for 2-(4-amino-3-methoxyphenyl)sulfanylethanol?
The canonical SMILES for 2-(4-amino-3-methoxyphenyl)sulfanylethanol is COc1cc(SCCO)ccc1N.
What is the InChIKey of 2-(4-amino-3-methoxyphenyl)sulfanylethanol?
The InChIKey is NXLVZGFCTYRLNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2S/c1-12-9-6-7(13-5-4-11)2-3-8(9)10/h2-3,6,11H,4-5,10H2,1H3.
What are the key properties of 2-(4-amino-3-methoxyphenyl)sulfanylethanol?
2-(4-amino-3-methoxyphenyl)sulfanylethanol has a molecular weight of 199.27 g/mol, XLogP of 1.36, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-3-methoxyphenyl)sulfanylethanol is sourced from PubChem (CID 63676763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).