2-methyl-N-[2-(4-methylphenyl)sulfanylethyl]aniline

C16H19NS — CID 55194770

IUPAC2-methyl-N-[2-(4-methylphenyl)sulfanylethyl]aniline
SMILESCc1ccc(SCCNc2ccccc2C)cc1
InChIInChI=1S/C16H19NS/c1-13-7-9-15(10-8-13)18-12-11-17-16-6-4-3-5-14(16)2/h3-10,17H,11-12H2,1-2H3
InChIKeyHMQSEZXPANLJBT-UHFFFAOYSA-N
MW257.40 g/mol
LogP4.51
Rot. Bonds5

About 2-methyl-N-[2-(4-methylphenyl)sulfanylethyl]aniline

2-methyl-N-[2-(4-methylphenyl)sulfanylethyl]aniline (PubChem CID 55194770) has the molecular formula C16H19NS and a molecular weight of 257.40 g/mol. Its IUPAC name is 2-methyl-N-[2-(4-methylphenyl)sulfanylethyl]aniline.

Molecular Properties

Compound Name2-methyl-N-[2-(4-methylphenyl)sulfanylethyl]aniline
PubChem CID55194770
Molecular FormulaC16H19NS
Molecular Weight257.40 g/mol
Exact Mass257.12
IUPAC Name2-methyl-N-[2-(4-methylphenyl)sulfanylethyl]aniline
SMILESCc1ccc(SCCNc2ccccc2C)cc1
InChIInChI=1S/C16H19NS/c1-13-7-9-15(10-8-13)18-12-11-17-16-6-4-3-5-14(16)2/h3-10,17H,11-12H2,1-2H3
InChIKeyHMQSEZXPANLJBT-UHFFFAOYSA-N
XLogP4.51
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.40
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(4-fluorophenyl)sulfanylethyl]-2-methylaniline
CID 55024156
N-[2-(4-bromophenyl)sulfanylethyl]-2-methylaniline
CID 63517764
2-chloro-3-methyl-N-(2-phenylsulfanylethyl)aniline
CID 114252002
2-methyl-N-[2-(4-methylphenoxy)ethyl]aniline
CID 60679505
2-methyl-N-(2-pyridin-2-ylsulfanylethyl)aniline
CID 62578988
2-methyl-N-(2-thiophen-2-ylsulfanylethyl)aniline
CID 62577112
N-[2-(2-methoxyethylsulfanyl)ethyl]-2-methylaniline
CID 62576577
2-methyl-N-[2-(2-methylfuran-3-yl)sulfanylethyl]aniline
CID 107782529
4-bromo-N-[2-(4-methylphenyl)sulfanylethyl]aniline
CID 55194583
4-chloro-N-[2-(4-methylphenyl)sulfanylethyl]aniline
CID 63517735
2-methoxy-5-methyl-N-(2-phenylsulfanylethyl)aniline
CID 79213571
2-methyl-N-[2-(4-methylpyrimidin-2-yl)sulfanylethyl]aniline
CID 62579535

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-(4-methylphenyl)sulfanylethyl]aniline?
The IUPAC name of 2-methyl-N-[2-(4-methylphenyl)sulfanylethyl]aniline (CID 55194770) is 2-methyl-N-[2-(4-methylphenyl)sulfanylethyl]aniline.
What is the SMILES notation for 2-methyl-N-[2-(4-methylphenyl)sulfanylethyl]aniline?
The canonical SMILES for 2-methyl-N-[2-(4-methylphenyl)sulfanylethyl]aniline is Cc1ccc(SCCNc2ccccc2C)cc1.
What is the InChIKey of 2-methyl-N-[2-(4-methylphenyl)sulfanylethyl]aniline?
The InChIKey is HMQSEZXPANLJBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NS/c1-13-7-9-15(10-8-13)18-12-11-17-16-6-4-3-5-14(16)2/h3-10,17H,11-12H2,1-2H3.
What are the key properties of 2-methyl-N-[2-(4-methylphenyl)sulfanylethyl]aniline?
2-methyl-N-[2-(4-methylphenyl)sulfanylethyl]aniline has a molecular weight of 257.40 g/mol, XLogP of 4.51, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-(4-methylphenyl)sulfanylethyl]aniline is sourced from PubChem (CID 55194770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).