2-methoxy-4-N-(6-methylsulfanylhexyl)benzene-1,4-diamine

C14H24N2OS — CID 114124775

IUPAC2-methoxy-4-N-(6-methylsulfanylhexyl)benzene-1,4-diamine
SMILESCOc1cc(NCCCCCCSC)ccc1N
InChIInChI=1S/C14H24N2OS/c1-17-14-11-12(7-8-13(14)15)16-9-5-3-4-6-10-18-2/h7-8,11,16H,3-6,9-10,15H2,1-2H3
InChIKeyAAADWEFUYIWYMD-UHFFFAOYSA-N
MW268.43 g/mol
LogP3.61
Rot. Bonds9

About 2-methoxy-4-N-(6-methylsulfanylhexyl)benzene-1,4-diamine

2-methoxy-4-N-(6-methylsulfanylhexyl)benzene-1,4-diamine (PubChem CID 114124775) has the molecular formula C14H24N2OS and a molecular weight of 268.43 g/mol. Its IUPAC name is 2-methoxy-4-N-(6-methylsulfanylhexyl)benzene-1,4-diamine.

Molecular Properties

Compound Name2-methoxy-4-N-(6-methylsulfanylhexyl)benzene-1,4-diamine
PubChem CID114124775
Molecular FormulaC14H24N2OS
Molecular Weight268.43 g/mol
Exact Mass268.16
IUPAC Name2-methoxy-4-N-(6-methylsulfanylhexyl)benzene-1,4-diamine
SMILESCOc1cc(NCCCCCCSC)ccc1N
InChIInChI=1S/C14H24N2OS/c1-17-14-11-12(7-8-13(14)15)16-9-5-3-4-6-10-18-2/h7-8,11,16H,3-6,9-10,15H2,1-2H3
InChIKeyAAADWEFUYIWYMD-UHFFFAOYSA-N
XLogP3.61
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.43
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-(4-amino-3-methoxyanilino)pentan-1-ol
CID 107316403
2-methoxy-4-N-[2-(trifluoromethylsulfanyl)ethyl]benzene-1,4-diamine
CID 114187380
4-methoxy-N-(4-methylsulfanylbutyl)aniline
CID 103087220
2-methoxy-4-N-[3-[methyl(propan-2-yl)amino]propyl]benzene-1,4-diamine
CID 106036754
2-[3-(4-amino-3-methoxyanilino)propoxy]ethanol
CID 106308975
2-methoxy-4-N-(2-prop-2-ynylsulfanylethyl)benzene-1,4-diamine
CID 106426314
4-N-(2-methylsulfanylethyl)-2-propoxybenzene-1,4-diamine
CID 63983761
tert-butyl N-[2-methoxy-4-(4-methylsulfanylbutylamino)phenyl]carbamate
CID 107241079
4-chloro-3-methoxy-N-(2-methylsulfanylethyl)aniline
CID 107621474
N-(5-methylsulfanylpentyl)naphthalen-2-amine
CID 114127751
4-methoxy-N-(3-methylsulfanylpropyl)-3-nitroaniline
CID 113385251
3-bromo-4-fluoro-N-(4-methylsulfanylbutyl)aniline
CID 103088379

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-N-(6-methylsulfanylhexyl)benzene-1,4-diamine?
The IUPAC name of 2-methoxy-4-N-(6-methylsulfanylhexyl)benzene-1,4-diamine (CID 114124775) is 2-methoxy-4-N-(6-methylsulfanylhexyl)benzene-1,4-diamine.
What is the SMILES notation for 2-methoxy-4-N-(6-methylsulfanylhexyl)benzene-1,4-diamine?
The canonical SMILES for 2-methoxy-4-N-(6-methylsulfanylhexyl)benzene-1,4-diamine is COc1cc(NCCCCCCSC)ccc1N.
What is the InChIKey of 2-methoxy-4-N-(6-methylsulfanylhexyl)benzene-1,4-diamine?
The InChIKey is AAADWEFUYIWYMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2OS/c1-17-14-11-12(7-8-13(14)15)16-9-5-3-4-6-10-18-2/h7-8,11,16H,3-6,9-10,15H2,1-2H3.
What are the key properties of 2-methoxy-4-N-(6-methylsulfanylhexyl)benzene-1,4-diamine?
2-methoxy-4-N-(6-methylsulfanylhexyl)benzene-1,4-diamine has a molecular weight of 268.43 g/mol, XLogP of 3.61, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-N-(6-methylsulfanylhexyl)benzene-1,4-diamine is sourced from PubChem (CID 114124775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).