2-(3-chloroanilino)-2-(4-methylsulfanylphenyl)ethanol

C15H16ClNOS — CID 61047746

IUPAC2-(3-chloroanilino)-2-(4-methylsulfanylphenyl)ethanol
SMILESCSc1ccc(C(CO)Nc2cccc(Cl)c2)cc1
InChIInChI=1S/C15H16ClNOS/c1-19-14-7-5-11(6-8-14)15(10-18)17-13-4-2-3-12(16)9-13/h2-9,15,17-18H,10H2,1H3
InChIKeyNRZNSZLKSXKOKD-UHFFFAOYSA-N
MW293.82 g/mol
LogP4.21
Rot. Bonds5

About 2-(3-chloroanilino)-2-(4-methylsulfanylphenyl)ethanol

2-(3-chloroanilino)-2-(4-methylsulfanylphenyl)ethanol (PubChem CID 61047746) has the molecular formula C15H16ClNOS and a molecular weight of 293.82 g/mol. Its IUPAC name is 2-(3-chloroanilino)-2-(4-methylsulfanylphenyl)ethanol.

Molecular Properties

Compound Name2-(3-chloroanilino)-2-(4-methylsulfanylphenyl)ethanol
PubChem CID61047746
Molecular FormulaC15H16ClNOS
Molecular Weight293.82 g/mol
Exact Mass293.06
IUPAC Name2-(3-chloroanilino)-2-(4-methylsulfanylphenyl)ethanol
SMILESCSc1ccc(C(CO)Nc2cccc(Cl)c2)cc1
InChIInChI=1S/C15H16ClNOS/c1-19-14-7-5-11(6-8-14)15(10-18)17-13-4-2-3-12(16)9-13/h2-9,15,17-18H,10H2,1H3
InChIKeyNRZNSZLKSXKOKD-UHFFFAOYSA-N
XLogP4.21
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.82
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-methylanilino)-2-(4-methylsulfanylphenyl)ethanol
CID 61049384
2-(3-chloroanilino)-2-(3-chlorophenyl)ethanol
CID 61049948
2-(3-chloroanilino)-2-(3-chloro-4-methylphenyl)ethanol
CID 106818136
2-(3-chloroanilino)-2-(3-chloro-4-methoxyphenyl)ethanol
CID 65026318
2-(3-bromophenyl)-2-(3-chloroanilino)ethanol
CID 61050345
2-(3-chloroanilino)-2-(3-propan-2-yloxyphenyl)ethanol
CID 61212830
2-(3-chloroanilino)-2-(4-fluoro-2-methylphenyl)ethanol
CID 55038676
2-(3-chloroanilino)-2-thiophen-2-ylethanol
CID 61346766
3-(3-chloroanilino)-1,3-bis(4-chlorophenyl)propan-1-ol
CID 132590818
2-(3-chlorophenyl)-2-(3-fluoro-5-methylanilino)ethanol
CID 79050495
1-(3-chlorophenyl)-N-[1-(4-methylsulfanylphenyl)ethyl]propan-1-amine
CID 43674027
N,1-bis(3-chlorophenyl)ethane-1,2-diamine
CID 65383380

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloroanilino)-2-(4-methylsulfanylphenyl)ethanol?
The IUPAC name of 2-(3-chloroanilino)-2-(4-methylsulfanylphenyl)ethanol (CID 61047746) is 2-(3-chloroanilino)-2-(4-methylsulfanylphenyl)ethanol.
What is the SMILES notation for 2-(3-chloroanilino)-2-(4-methylsulfanylphenyl)ethanol?
The canonical SMILES for 2-(3-chloroanilino)-2-(4-methylsulfanylphenyl)ethanol is CSc1ccc(C(CO)Nc2cccc(Cl)c2)cc1.
What is the InChIKey of 2-(3-chloroanilino)-2-(4-methylsulfanylphenyl)ethanol?
The InChIKey is NRZNSZLKSXKOKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNOS/c1-19-14-7-5-11(6-8-14)15(10-18)17-13-4-2-3-12(16)9-13/h2-9,15,17-18H,10H2,1H3.
What are the key properties of 2-(3-chloroanilino)-2-(4-methylsulfanylphenyl)ethanol?
2-(3-chloroanilino)-2-(4-methylsulfanylphenyl)ethanol has a molecular weight of 293.82 g/mol, XLogP of 4.21, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloroanilino)-2-(4-methylsulfanylphenyl)ethanol is sourced from PubChem (CID 61047746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).