benzene-1,2-diol;N-methylmethanamine

C8H13NO2 — CID 18963537

IUPACbenzene-1,2-diol;N-methylmethanamine
SMILESCNC.Oc1ccccc1O
InChIInChI=1S/C6H6O2.C2H7N/c7-5-3-1-2-4-6(5)8;1-3-2/h1-4,7-8H;3H,1-2H3
InChIKeyCVIBPZMYBKBNBO-UHFFFAOYSA-N
MW155.20 g/mol
LogP0.93
Rot. Bonds

About benzene-1,2-diol;N-methylmethanamine

benzene-1,2-diol;N-methylmethanamine (PubChem CID 18963537) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is benzene-1,2-diol;N-methylmethanamine.

Molecular Properties

Compound Namebenzene-1,2-diol;N-methylmethanamine
PubChem CID18963537
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Namebenzene-1,2-diol;N-methylmethanamine
SMILESCNC.Oc1ccccc1O
InChIInChI=1S/C6H6O2.C2H7N/c7-5-3-1-2-4-6(5)8;1-3-2/h1-4,7-8H;3H,1-2H3
InChIKeyCVIBPZMYBKBNBO-UHFFFAOYSA-N
XLogP0.93
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 50.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of benzene-1,2-diol;N-methylmethanamine?
The IUPAC name of benzene-1,2-diol;N-methylmethanamine (CID 18963537) is benzene-1,2-diol;N-methylmethanamine.
What is the SMILES notation for benzene-1,2-diol;N-methylmethanamine?
The canonical SMILES for benzene-1,2-diol;N-methylmethanamine is CNC.Oc1ccccc1O.
What is the InChIKey of benzene-1,2-diol;N-methylmethanamine?
The InChIKey is CVIBPZMYBKBNBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6O2.C2H7N/c7-5-3-1-2-4-6(5)8;1-3-2/h1-4,7-8H;3H,1-2H3.
What are the key properties of benzene-1,2-diol;N-methylmethanamine?
benzene-1,2-diol;N-methylmethanamine has a molecular weight of 155.20 g/mol, XLogP of 0.93, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzene-1,2-diol;N-methylmethanamine is sourced from PubChem (CID 18963537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).