N-[2-(4-methoxyphenyl)sulfanylethyl]-3-methylaniline

C16H19NOS — CID 55092023

IUPACN-[2-(4-methoxyphenyl)sulfanylethyl]-3-methylaniline
SMILESCOc1ccc(SCCNc2cccc(C)c2)cc1
InChIInChI=1S/C16H19NOS/c1-13-4-3-5-14(12-13)17-10-11-19-16-8-6-15(18-2)7-9-16/h3-9,12,17H,10-11H2,1-2H3
InChIKeyIMZMHXITCXXPBK-UHFFFAOYSA-N
MW273.40 g/mol
LogP4.21
Rot. Bonds6

About N-[2-(4-methoxyphenyl)sulfanylethyl]-3-methylaniline

N-[2-(4-methoxyphenyl)sulfanylethyl]-3-methylaniline (PubChem CID 55092023) has the molecular formula C16H19NOS and a molecular weight of 273.40 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)sulfanylethyl]-3-methylaniline.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)sulfanylethyl]-3-methylaniline
PubChem CID55092023
Molecular FormulaC16H19NOS
Molecular Weight273.40 g/mol
Exact Mass273.12
IUPAC NameN-[2-(4-methoxyphenyl)sulfanylethyl]-3-methylaniline
SMILESCOc1ccc(SCCNc2cccc(C)c2)cc1
InChIInChI=1S/C16H19NOS/c1-13-4-3-5-14(12-13)17-10-11-19-16-8-6-15(18-2)7-9-16/h3-9,12,17H,10-11H2,1-2H3
InChIKeyIMZMHXITCXXPBK-UHFFFAOYSA-N
XLogP4.21
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.40
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[2-(4-methoxyphenyl)sulfanylethyl]-3-methylaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(4-methoxyphenyl)ethyl]-3-methylaniline
CID 54763230
N-[2-(3-methoxypropylsulfanyl)ethyl]-3-methylaniline
CID 63856350
[2-(3-methylanilino)-2-oxoethyl] 2-(4-methoxyphenyl)sulfanylacetate
CID 8547921
3-methylsulfanyl-N-(2-phenylsulfanylethyl)aniline
CID 79212652
3,4-dimethoxy-N-(2-phenylsulfanylethyl)aniline
CID 79213147
N-[(3-methoxyphenoxy)methyl]-3-methylaniline
CID 20614875
4-bromo-N-[2-(4-methylphenyl)sulfanylethyl]aniline
CID 55194583
N'-(3-methoxyphenyl)-N-(4-methylphenyl)ethane-1,2-diamine
CID 54806936
3-methyl-N-(4-methylsulfanylbutyl)aniline
CID 103087126
2-methoxy-5-methyl-N-(2-phenylsulfanylethyl)aniline
CID 79213571
N-[2-(4-bromo-3-methylphenoxy)ethyl]-3-methylaniline
CID 83140916
N-[2-(4-bromophenyl)sulfanylethyl]aniline
CID 55092644

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)sulfanylethyl]-3-methylaniline?
The IUPAC name of N-[2-(4-methoxyphenyl)sulfanylethyl]-3-methylaniline (CID 55092023) is N-[2-(4-methoxyphenyl)sulfanylethyl]-3-methylaniline.
What is the SMILES notation for N-[2-(4-methoxyphenyl)sulfanylethyl]-3-methylaniline?
The canonical SMILES for N-[2-(4-methoxyphenyl)sulfanylethyl]-3-methylaniline is COc1ccc(SCCNc2cccc(C)c2)cc1.
What is the InChIKey of N-[2-(4-methoxyphenyl)sulfanylethyl]-3-methylaniline?
The InChIKey is IMZMHXITCXXPBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NOS/c1-13-4-3-5-14(12-13)17-10-11-19-16-8-6-15(18-2)7-9-16/h3-9,12,17H,10-11H2,1-2H3.
What are the key properties of N-[2-(4-methoxyphenyl)sulfanylethyl]-3-methylaniline?
N-[2-(4-methoxyphenyl)sulfanylethyl]-3-methylaniline has a molecular weight of 273.40 g/mol, XLogP of 4.21, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)sulfanylethyl]-3-methylaniline is sourced from PubChem (CID 55092023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).