2-amino-2-(4-ethylsulfanylphenyl)ethanol

C10H15NOS — CID 77129802

IUPAC2-amino-2-(4-ethylsulfanylphenyl)ethanol
SMILESCCSc1ccc(C(N)CO)cc1
InChIInChI=1S/C10H15NOS/c1-2-13-9-5-3-8(4-6-9)10(11)7-12/h3-6,10,12H,2,7,11H2,1H3
InChIKeyLLUBRYRBSJQHRX-UHFFFAOYSA-N
MW197.30 g/mol
LogP1.79
Rot. Bonds4

About 2-amino-2-(4-ethylsulfanylphenyl)ethanol

2-amino-2-(4-ethylsulfanylphenyl)ethanol (PubChem CID 77129802) has the molecular formula C10H15NOS and a molecular weight of 197.30 g/mol. Its IUPAC name is 2-amino-2-(4-ethylsulfanylphenyl)ethanol.

Molecular Properties

Compound Name2-amino-2-(4-ethylsulfanylphenyl)ethanol
PubChem CID77129802
Molecular FormulaC10H15NOS
Molecular Weight197.30 g/mol
Exact Mass197.09
IUPAC Name2-amino-2-(4-ethylsulfanylphenyl)ethanol
SMILESCCSc1ccc(C(N)CO)cc1
InChIInChI=1S/C10H15NOS/c1-2-13-9-5-3-8(4-6-9)10(11)7-12/h3-6,10,12H,2,7,11H2,1H3
InChIKeyLLUBRYRBSJQHRX-UHFFFAOYSA-N
XLogP1.79
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.30
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-diamino-3-(4-ethylsulfanylphenyl)propan-1-ol
CID 116942412
amino-(4-ethylsulfanylphenyl)methanol
CID 116939661
(4-ethylsulfanylphenyl)methanediamine
CID 116939199
1-(4-ethylsulfanylphenyl)-3-methylsulfanylpropan-1-amine
CID 116831553
1-(4-ethylsulfanylphenyl)-N',N'-dimethylpropane-1,3-diamine
CID 112518298
3-amino-3-(4-ethylsulfanylphenyl)-N'-methylpropanehydrazide
CID 116849699
1-(4-ethylsulfanylphenyl)pent-4-en-1-amine
CID 106848528
2-amino-2-(4-propan-2-ylphenyl)ethanol;hydrochloride
CID 155487486
1-(4-ethylsulfanylphenyl)-N',N'-dimethylmethanediamine
CID 116909120
4-[(1R)-1-amino-2-hydroxyethyl]phenol
CID 45083049
(2R)-2-amino-2-(4-tert-butylphenyl)ethanol
CID 55278122
1-(4-ethylsulfanylphenyl)hex-5-yn-1-amine
CID 106848699

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(4-ethylsulfanylphenyl)ethanol?
The IUPAC name of 2-amino-2-(4-ethylsulfanylphenyl)ethanol (CID 77129802) is 2-amino-2-(4-ethylsulfanylphenyl)ethanol.
What is the SMILES notation for 2-amino-2-(4-ethylsulfanylphenyl)ethanol?
The canonical SMILES for 2-amino-2-(4-ethylsulfanylphenyl)ethanol is CCSc1ccc(C(N)CO)cc1.
What is the InChIKey of 2-amino-2-(4-ethylsulfanylphenyl)ethanol?
The InChIKey is LLUBRYRBSJQHRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NOS/c1-2-13-9-5-3-8(4-6-9)10(11)7-12/h3-6,10,12H,2,7,11H2,1H3.
What are the key properties of 2-amino-2-(4-ethylsulfanylphenyl)ethanol?
2-amino-2-(4-ethylsulfanylphenyl)ethanol has a molecular weight of 197.30 g/mol, XLogP of 1.79, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(4-ethylsulfanylphenyl)ethanol is sourced from PubChem (CID 77129802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).