N'-(2,5-dimethoxy-4-methylsulfanylphenyl)methanediamine

C10H16N2O2S — CID 115225488

IUPACN'-(2,5-dimethoxy-4-methylsulfanylphenyl)methanediamine
SMILESCOc1cc(SC)c(OC)cc1NCN
InChIInChI=1S/C10H16N2O2S/c1-13-8-5-10(15-3)9(14-2)4-7(8)12-6-11/h4-5,12H,6,11H2,1-3H3
InChIKeySCAMWUYVUOSYIH-UHFFFAOYSA-N
MW228.32 g/mol
LogP1.75
Rot. Bonds5

About N'-(2,5-dimethoxy-4-methylsulfanylphenyl)methanediamine

N'-(2,5-dimethoxy-4-methylsulfanylphenyl)methanediamine (PubChem CID 115225488) has the molecular formula C10H16N2O2S and a molecular weight of 228.32 g/mol. Its IUPAC name is N'-(2,5-dimethoxy-4-methylsulfanylphenyl)methanediamine.

Molecular Properties

Compound NameN'-(2,5-dimethoxy-4-methylsulfanylphenyl)methanediamine
PubChem CID115225488
Molecular FormulaC10H16N2O2S
Molecular Weight228.32 g/mol
Exact Mass228.09
IUPAC NameN'-(2,5-dimethoxy-4-methylsulfanylphenyl)methanediamine
SMILESCOc1cc(SC)c(OC)cc1NCN
InChIInChI=1S/C10H16N2O2S/c1-13-8-5-10(15-3)9(14-2)4-7(8)12-6-11/h4-5,12H,6,11H2,1-3H3
InChIKeySCAMWUYVUOSYIH-UHFFFAOYSA-N
XLogP1.75
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.32
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-(2,5-dimethoxy-4-methylsulfanylanilino)acetic acid
CID 115218012
1,4-dimethoxy-2,5-bis(methylsulfanyl)benzene
CID 2802745
N-(azetidin-3-ylmethyl)-2,5-dimethoxy-4-methylsulfanylaniline
CID 115207328
N'-(5-chloro-2-methoxy-4-methylphenyl)methanediamine
CID 115225402
2-amino-1-(2,5-dimethoxy-4-methylsulfanylphenyl)ethanol
CID 117360537
N'-[(2,5-dimethoxy-4-methylsulfanylphenyl)methyl]-N'-methylmethanediamine
CID 115225983
3-amino-2-(2,5-dimethoxy-4-methylsulfanylphenyl)propan-1-ol
CID 116835417
2-methyl-N'-(2,4,5-trimethoxyphenyl)propane-1,3-diamine
CID 115198315
1-N-(2,4,5-trimethoxyphenyl)propane-1,2-diamine
CID 115196333
N'-[(2,5-dimethoxy-4-methylsulfanylphenyl)methyl]-N-methylmethanediamine
CID 115226937
3-(2,5-dimethoxy-4-methylsulfanylphenyl)cyclobutan-1-amine
CID 116962826
2-(2,5-dimethoxy-4-methylsulfanylphenyl)-2,2-difluoroethanol
CID 116841207

Frequently Asked Questions

What is the IUPAC name of N'-(2,5-dimethoxy-4-methylsulfanylphenyl)methanediamine?
The IUPAC name of N'-(2,5-dimethoxy-4-methylsulfanylphenyl)methanediamine (CID 115225488) is N'-(2,5-dimethoxy-4-methylsulfanylphenyl)methanediamine.
What is the SMILES notation for N'-(2,5-dimethoxy-4-methylsulfanylphenyl)methanediamine?
The canonical SMILES for N'-(2,5-dimethoxy-4-methylsulfanylphenyl)methanediamine is COc1cc(SC)c(OC)cc1NCN.
What is the InChIKey of N'-(2,5-dimethoxy-4-methylsulfanylphenyl)methanediamine?
The InChIKey is SCAMWUYVUOSYIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2S/c1-13-8-5-10(15-3)9(14-2)4-7(8)12-6-11/h4-5,12H,6,11H2,1-3H3.
What are the key properties of N'-(2,5-dimethoxy-4-methylsulfanylphenyl)methanediamine?
N'-(2,5-dimethoxy-4-methylsulfanylphenyl)methanediamine has a molecular weight of 228.32 g/mol, XLogP of 1.75, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,5-dimethoxy-4-methylsulfanylphenyl)methanediamine is sourced from PubChem (CID 115225488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).