2-chloro-4-[2-(4-methoxyphenyl)ethylsulfanyl]aniline

C15H16ClNOS — CID 79149182

IUPAC2-chloro-4-[2-(4-methoxyphenyl)ethylsulfanyl]aniline
SMILESCOc1ccc(CCSc2ccc(N)c(Cl)c2)cc1
InChIInChI=1S/C15H16ClNOS/c1-18-12-4-2-11(3-5-12)8-9-19-13-6-7-15(17)14(16)10-13/h2-7,10H,8-9,17H2,1H3
InChIKeyADDKMPLMIHEZPI-UHFFFAOYSA-N
MW293.82 g/mol
LogP4.27
Rot. Bonds5

About 2-chloro-4-[2-(4-methoxyphenyl)ethylsulfanyl]aniline

2-chloro-4-[2-(4-methoxyphenyl)ethylsulfanyl]aniline (PubChem CID 79149182) has the molecular formula C15H16ClNOS and a molecular weight of 293.82 g/mol. Its IUPAC name is 2-chloro-4-[2-(4-methoxyphenyl)ethylsulfanyl]aniline.

Molecular Properties

Compound Name2-chloro-4-[2-(4-methoxyphenyl)ethylsulfanyl]aniline
PubChem CID79149182
Molecular FormulaC15H16ClNOS
Molecular Weight293.82 g/mol
Exact Mass293.06
IUPAC Name2-chloro-4-[2-(4-methoxyphenyl)ethylsulfanyl]aniline
SMILESCOc1ccc(CCSc2ccc(N)c(Cl)c2)cc1
InChIInChI=1S/C15H16ClNOS/c1-18-12-4-2-11(3-5-12)8-9-19-13-6-7-15(17)14(16)10-13/h2-7,10H,8-9,17H2,1H3
InChIKeyADDKMPLMIHEZPI-UHFFFAOYSA-N
XLogP4.27
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.82
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-Methoxybenzyl [3-chloro-4-(methylthio)phenyl]dithiocarbamate
CID 3418200
(4-methoxyphenyl)methyl N'-(2-chlorophenyl)carbamimidothioate
CID 4383292
2-(4-Methoxybenzylthio)aniline
CID 12770209
2-Fluoro-4-(4'-methoxybenzylmercapto)aniline
CID 18333615
4-[[4-(Trifluoromethoxy)phenyl]methylsulfanyl]aniline
CID 43299438
3-Fluoro-4-[(4-methoxyphenyl)methylsulfanyl]aniline
CID 43303859
2-Chloro-5-[(2-fluoro-6-methoxyphenyl)methylsulfanyl]aniline
CID 59309722
2-Chloro-5-[2-(2,3-difluoro-6-methoxyphenyl)propan-2-ylsulfanyl]aniline
CID 59309799
2-Chloro-5-[2-(5-fluoro-2-methoxyphenyl)propan-2-ylsulfanyl]aniline
CID 59309824
2-Chloro-5-[2-(2-fluoro-6-methoxyphenyl)propan-2-ylsulfanyl]aniline
CID 59310017
2-Chloro-4-fluoro-5-[2-(2-methoxyphenyl)propan-2-ylsulfanyl]aniline
CID 59310096
2-Chloro-4-[4-(difluoromethoxy)phenyl]sulfanyl-6-methylaniline
CID 144685148

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[2-(4-methoxyphenyl)ethylsulfanyl]aniline?
The IUPAC name of 2-chloro-4-[2-(4-methoxyphenyl)ethylsulfanyl]aniline (CID 79149182) is 2-chloro-4-[2-(4-methoxyphenyl)ethylsulfanyl]aniline.
What is the SMILES notation for 2-chloro-4-[2-(4-methoxyphenyl)ethylsulfanyl]aniline?
The canonical SMILES for 2-chloro-4-[2-(4-methoxyphenyl)ethylsulfanyl]aniline is COc1ccc(CCSc2ccc(N)c(Cl)c2)cc1.
What is the InChIKey of 2-chloro-4-[2-(4-methoxyphenyl)ethylsulfanyl]aniline?
The InChIKey is ADDKMPLMIHEZPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNOS/c1-18-12-4-2-11(3-5-12)8-9-19-13-6-7-15(17)14(16)10-13/h2-7,10H,8-9,17H2,1H3.
What are the key properties of 2-chloro-4-[2-(4-methoxyphenyl)ethylsulfanyl]aniline?
2-chloro-4-[2-(4-methoxyphenyl)ethylsulfanyl]aniline has a molecular weight of 293.82 g/mol, XLogP of 4.27, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[2-(4-methoxyphenyl)ethylsulfanyl]aniline is sourced from PubChem (CID 79149182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).