4-(methoxymethyl)-2-N-methyl-2-N-methylsulfanylbenzene-1,2-diamine

C10H16N2OS — CID 142329776

IUPAC4-(methoxymethyl)-2-N-methyl-2-N-methylsulfanylbenzene-1,2-diamine
SMILESCOCc1ccc(N)c(N(C)SC)c1
InChIInChI=1S/C10H16N2OS/c1-12(14-3)10-6-8(7-13-2)4-5-9(10)11/h4-6H,7,11H2,1-3H3
InChIKeyPRTMAZAXCDZXED-UHFFFAOYSA-N
MW212.32 g/mol
LogP2.13
Rot. Bonds4

About 4-(methoxymethyl)-2-N-methyl-2-N-methylsulfanylbenzene-1,2-diamine

4-(methoxymethyl)-2-N-methyl-2-N-methylsulfanylbenzene-1,2-diamine (PubChem CID 142329776) has the molecular formula C10H16N2OS and a molecular weight of 212.32 g/mol. Its IUPAC name is 4-(methoxymethyl)-2-N-methyl-2-N-methylsulfanylbenzene-1,2-diamine.

Molecular Properties

Compound Name4-(methoxymethyl)-2-N-methyl-2-N-methylsulfanylbenzene-1,2-diamine
PubChem CID142329776
Molecular FormulaC10H16N2OS
Molecular Weight212.32 g/mol
Exact Mass212.10
IUPAC Name4-(methoxymethyl)-2-N-methyl-2-N-methylsulfanylbenzene-1,2-diamine
SMILESCOCc1ccc(N)c(N(C)SC)c1
InChIInChI=1S/C10H16N2OS/c1-12(14-3)10-6-8(7-13-2)4-5-9(10)11/h4-6H,7,11H2,1-3H3
InChIKeyPRTMAZAXCDZXED-UHFFFAOYSA-N
XLogP2.13
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.32
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(methoxymethyl)-2-N-methyl-2-N-methylsulfanylbenzene-1,2-diamine?
The IUPAC name of 4-(methoxymethyl)-2-N-methyl-2-N-methylsulfanylbenzene-1,2-diamine (CID 142329776) is 4-(methoxymethyl)-2-N-methyl-2-N-methylsulfanylbenzene-1,2-diamine.
What is the SMILES notation for 4-(methoxymethyl)-2-N-methyl-2-N-methylsulfanylbenzene-1,2-diamine?
The canonical SMILES for 4-(methoxymethyl)-2-N-methyl-2-N-methylsulfanylbenzene-1,2-diamine is COCc1ccc(N)c(N(C)SC)c1.
What is the InChIKey of 4-(methoxymethyl)-2-N-methyl-2-N-methylsulfanylbenzene-1,2-diamine?
The InChIKey is PRTMAZAXCDZXED-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2OS/c1-12(14-3)10-6-8(7-13-2)4-5-9(10)11/h4-6H,7,11H2,1-3H3.
What are the key properties of 4-(methoxymethyl)-2-N-methyl-2-N-methylsulfanylbenzene-1,2-diamine?
4-(methoxymethyl)-2-N-methyl-2-N-methylsulfanylbenzene-1,2-diamine has a molecular weight of 212.32 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethyl)-2-N-methyl-2-N-methylsulfanylbenzene-1,2-diamine is sourced from PubChem (CID 142329776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).