2-N-methyl-2-N-(oxetan-3-ylmethyl)benzene-1,2-diamine

C11H16N2O — CID 171544441

IUPAC2-N-methyl-2-N-(oxetan-3-ylmethyl)benzene-1,2-diamine
SMILESCN(CC1COC1)c1ccccc1N
InChIInChI=1S/C11H16N2O/c1-13(6-9-7-14-8-9)11-5-3-2-4-10(11)12/h2-5,9H,6-8,12H2,1H3
InChIKeyMTKGUASDRFOZFZ-UHFFFAOYSA-N
MW192.26 g/mol
LogP1.35
Rot. Bonds3

About 2-N-methyl-2-N-(oxetan-3-ylmethyl)benzene-1,2-diamine

2-N-methyl-2-N-(oxetan-3-ylmethyl)benzene-1,2-diamine (PubChem CID 171544441) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is 2-N-methyl-2-N-(oxetan-3-ylmethyl)benzene-1,2-diamine.

Molecular Properties

Compound Name2-N-methyl-2-N-(oxetan-3-ylmethyl)benzene-1,2-diamine
PubChem CID171544441
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name2-N-methyl-2-N-(oxetan-3-ylmethyl)benzene-1,2-diamine
SMILESCN(CC1COC1)c1ccccc1N
InChIInChI=1S/C11H16N2O/c1-13(6-9-7-14-8-9)11-5-3-2-4-10(11)12/h2-5,9H,6-8,12H2,1H3
InChIKeyMTKGUASDRFOZFZ-UHFFFAOYSA-N
XLogP1.35
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-N-methyl-2-N-(oxetan-3-ylmethyl)benzene-1,2-diamine?
The IUPAC name of 2-N-methyl-2-N-(oxetan-3-ylmethyl)benzene-1,2-diamine (CID 171544441) is 2-N-methyl-2-N-(oxetan-3-ylmethyl)benzene-1,2-diamine.
What is the SMILES notation for 2-N-methyl-2-N-(oxetan-3-ylmethyl)benzene-1,2-diamine?
The canonical SMILES for 2-N-methyl-2-N-(oxetan-3-ylmethyl)benzene-1,2-diamine is CN(CC1COC1)c1ccccc1N.
What is the InChIKey of 2-N-methyl-2-N-(oxetan-3-ylmethyl)benzene-1,2-diamine?
The InChIKey is MTKGUASDRFOZFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O/c1-13(6-9-7-14-8-9)11-5-3-2-4-10(11)12/h2-5,9H,6-8,12H2,1H3.
What are the key properties of 2-N-methyl-2-N-(oxetan-3-ylmethyl)benzene-1,2-diamine?
2-N-methyl-2-N-(oxetan-3-ylmethyl)benzene-1,2-diamine has a molecular weight of 192.26 g/mol, XLogP of 1.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-methyl-2-N-(oxetan-3-ylmethyl)benzene-1,2-diamine is sourced from PubChem (CID 171544441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).