2-amino-2-(3-chloro-4-methoxy-5-methylsulfanylphenyl)ethanol

C10H14ClNO2S — CID 117372574

IUPAC2-amino-2-(3-chloro-4-methoxy-5-methylsulfanylphenyl)ethanol
SMILESCOc1c(Cl)cc(C(N)CO)cc1SC
InChIInChI=1S/C10H14ClNO2S/c1-14-10-7(11)3-6(8(12)5-13)4-9(10)15-2/h3-4,8,13H,5,12H2,1-2H3
InChIKeyPCRKISLJOPASKN-UHFFFAOYSA-N
MW247.75 g/mol
LogP2.06
Rot. Bonds4

About 2-amino-2-(3-chloro-4-methoxy-5-methylsulfanylphenyl)ethanol

2-amino-2-(3-chloro-4-methoxy-5-methylsulfanylphenyl)ethanol (PubChem CID 117372574) has the molecular formula C10H14ClNO2S and a molecular weight of 247.75 g/mol. Its IUPAC name is 2-amino-2-(3-chloro-4-methoxy-5-methylsulfanylphenyl)ethanol.

Molecular Properties

Compound Name2-amino-2-(3-chloro-4-methoxy-5-methylsulfanylphenyl)ethanol
PubChem CID117372574
Molecular FormulaC10H14ClNO2S
Molecular Weight247.75 g/mol
Exact Mass247.04
IUPAC Name2-amino-2-(3-chloro-4-methoxy-5-methylsulfanylphenyl)ethanol
SMILESCOc1c(Cl)cc(C(N)CO)cc1SC
InChIInChI=1S/C10H14ClNO2S/c1-14-10-7(11)3-6(8(12)5-13)4-9(10)15-2/h3-4,8,13H,5,12H2,1-2H3
InChIKeyPCRKISLJOPASKN-UHFFFAOYSA-N
XLogP2.06
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.75
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-2-(3-chloro-5-ethyl-4-methoxyphenyl)ethanol
CID 117331573
1-(3-chloro-4-methoxy-5-methylsulfanylphenyl)ethanol
CID 117337308
2-amino-2-(3,5-difluoro-4-methoxyphenyl)ethanol
CID 67609119
2-amino-2-(5-chloro-2,3-difluoro-4-methoxyphenyl)ethanol
CID 84700339
(2R)-2-amino-2-(3,5-dibromo-4-methoxyphenyl)ethanol
CID 66516252
1-(3,5-dichloro-4-methoxyphenyl)butan-1-amine
CID 82550774
(2R)-2-amino-2-(5-chloro-6-methoxy-3-pyridinyl)ethanol
CID 131056244
2-amino-2-(5-chloro-6-methoxy-3-pyridinyl)ethanol
CID 83881341
(2R)-2-amino-2-(3-chloro-4-methoxyphenyl)ethanol
CID 42579768
2-amino-2-(6-chloro-2,3,4-trimethoxyphenyl)ethanol
CID 117409035
5-(1-amino-2-hydroxyethyl)-2-methoxy-3-methylphenol
CID 117287047
O-[2-(3-chloro-4-methoxy-5-methylsulfanylphenyl)ethyl]hydroxylamine
CID 117372592

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(3-chloro-4-methoxy-5-methylsulfanylphenyl)ethanol?
The IUPAC name of 2-amino-2-(3-chloro-4-methoxy-5-methylsulfanylphenyl)ethanol (CID 117372574) is 2-amino-2-(3-chloro-4-methoxy-5-methylsulfanylphenyl)ethanol.
What is the SMILES notation for 2-amino-2-(3-chloro-4-methoxy-5-methylsulfanylphenyl)ethanol?
The canonical SMILES for 2-amino-2-(3-chloro-4-methoxy-5-methylsulfanylphenyl)ethanol is COc1c(Cl)cc(C(N)CO)cc1SC.
What is the InChIKey of 2-amino-2-(3-chloro-4-methoxy-5-methylsulfanylphenyl)ethanol?
The InChIKey is PCRKISLJOPASKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClNO2S/c1-14-10-7(11)3-6(8(12)5-13)4-9(10)15-2/h3-4,8,13H,5,12H2,1-2H3.
What are the key properties of 2-amino-2-(3-chloro-4-methoxy-5-methylsulfanylphenyl)ethanol?
2-amino-2-(3-chloro-4-methoxy-5-methylsulfanylphenyl)ethanol has a molecular weight of 247.75 g/mol, XLogP of 2.06, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(3-chloro-4-methoxy-5-methylsulfanylphenyl)ethanol is sourced from PubChem (CID 117372574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).