N-[2-(2-methoxyethylsulfanyl)ethyl]-2-methylaniline

C12H19NOS — CID 62576577

IUPACN-[2-(2-methoxyethylsulfanyl)ethyl]-2-methylaniline
SMILESCOCCSCCNc1ccccc1C
InChIInChI=1S/C12H19NOS/c1-11-5-3-4-6-12(11)13-7-9-15-10-8-14-2/h3-6,13H,7-10H2,1-2H3
InChIKeyBLTXJQIRXCPHBG-UHFFFAOYSA-N
MW225.36 g/mol
LogP2.79
Rot. Bonds7

About N-[2-(2-methoxyethylsulfanyl)ethyl]-2-methylaniline

N-[2-(2-methoxyethylsulfanyl)ethyl]-2-methylaniline (PubChem CID 62576577) has the molecular formula C12H19NOS and a molecular weight of 225.36 g/mol. Its IUPAC name is N-[2-(2-methoxyethylsulfanyl)ethyl]-2-methylaniline.

Molecular Properties

Compound NameN-[2-(2-methoxyethylsulfanyl)ethyl]-2-methylaniline
PubChem CID62576577
Molecular FormulaC12H19NOS
Molecular Weight225.36 g/mol
Exact Mass225.12
IUPAC NameN-[2-(2-methoxyethylsulfanyl)ethyl]-2-methylaniline
SMILESCOCCSCCNc1ccccc1C
InChIInChI=1S/C12H19NOS/c1-11-5-3-4-6-12(11)13-7-9-15-10-8-14-2/h3-6,13H,7-10H2,1-2H3
InChIKeyBLTXJQIRXCPHBG-UHFFFAOYSA-N
XLogP2.79
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.36
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(6-methoxyhexyl)-2-methylaniline
CID 59493757
2-methyl-N-[2-(4-methylphenyl)sulfanylethyl]aniline
CID 55194770
N-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]-2-methylaniline
CID 114791937
N-[2-(4-fluorophenyl)sulfanylethyl]-2-methylaniline
CID 55024156
N-[2-(4-bromophenyl)sulfanylethyl]-2-methylaniline
CID 63517764
2-methyl-N-[2-(2-methylbutan-2-yloxy)ethyl]aniline
CID 62598994
N-(2-butan-2-ylsulfanylethyl)-2-methylaniline
CID 62577344
N-[2-(2-methoxyphenoxy)ethyl]-2-methylaniline
CID 62570750
methyl 3-(2-methylanilino)propanoate
CID 12805940
N-[2-(2,5-dibromo-4-methoxyphenoxy)ethyl]-2-methylaniline
CID 79407221
2-methyl-N-(2-pyridin-2-ylsulfanylethyl)aniline
CID 62578988
2-methyl-N-(2-thiophen-2-ylsulfanylethyl)aniline
CID 62577112

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxyethylsulfanyl)ethyl]-2-methylaniline?
The IUPAC name of N-[2-(2-methoxyethylsulfanyl)ethyl]-2-methylaniline (CID 62576577) is N-[2-(2-methoxyethylsulfanyl)ethyl]-2-methylaniline.
What is the SMILES notation for N-[2-(2-methoxyethylsulfanyl)ethyl]-2-methylaniline?
The canonical SMILES for N-[2-(2-methoxyethylsulfanyl)ethyl]-2-methylaniline is COCCSCCNc1ccccc1C.
What is the InChIKey of N-[2-(2-methoxyethylsulfanyl)ethyl]-2-methylaniline?
The InChIKey is BLTXJQIRXCPHBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NOS/c1-11-5-3-4-6-12(11)13-7-9-15-10-8-14-2/h3-6,13H,7-10H2,1-2H3.
What are the key properties of N-[2-(2-methoxyethylsulfanyl)ethyl]-2-methylaniline?
N-[2-(2-methoxyethylsulfanyl)ethyl]-2-methylaniline has a molecular weight of 225.36 g/mol, XLogP of 2.79, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxyethylsulfanyl)ethyl]-2-methylaniline is sourced from PubChem (CID 62576577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).