benzaldehyde;N-methoxy-N-methylmethanamine

C10H15NO2 — CID 145337706

IUPACbenzaldehyde;N-methoxy-N-methylmethanamine
SMILESCON(C)C.O=Cc1ccccc1
InChIInChI=1S/C7H6O.C3H9NO/c8-6-7-4-2-1-3-5-7;1-4(2)5-3/h1-6H;1-3H3
InChIKeyIZPFRVZCYJZUDE-UHFFFAOYSA-N
MW181.23 g/mol
LogP1.61
Rot. Bonds2

About benzaldehyde;N-methoxy-N-methylmethanamine

benzaldehyde;N-methoxy-N-methylmethanamine (PubChem CID 145337706) has the molecular formula C10H15NO2 and a molecular weight of 181.23 g/mol. Its IUPAC name is benzaldehyde;N-methoxy-N-methylmethanamine.

Molecular Properties

Compound Namebenzaldehyde;N-methoxy-N-methylmethanamine
PubChem CID145337706
Molecular FormulaC10H15NO2
Molecular Weight181.23 g/mol
Exact Mass181.11
IUPAC Namebenzaldehyde;N-methoxy-N-methylmethanamine
SMILESCON(C)C.O=Cc1ccccc1
InChIInChI=1S/C7H6O.C3H9NO/c8-6-7-4-2-1-3-5-7;1-4(2)5-3/h1-6H;1-3H3
InChIKeyIZPFRVZCYJZUDE-UHFFFAOYSA-N
XLogP1.61
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of benzaldehyde;N-methoxy-N-methylmethanamine?
The IUPAC name of benzaldehyde;N-methoxy-N-methylmethanamine (CID 145337706) is benzaldehyde;N-methoxy-N-methylmethanamine.
What is the SMILES notation for benzaldehyde;N-methoxy-N-methylmethanamine?
The canonical SMILES for benzaldehyde;N-methoxy-N-methylmethanamine is CON(C)C.O=Cc1ccccc1.
What is the InChIKey of benzaldehyde;N-methoxy-N-methylmethanamine?
The InChIKey is IZPFRVZCYJZUDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6O.C3H9NO/c8-6-7-4-2-1-3-5-7;1-4(2)5-3/h1-6H;1-3H3.
What are the key properties of benzaldehyde;N-methoxy-N-methylmethanamine?
benzaldehyde;N-methoxy-N-methylmethanamine has a molecular weight of 181.23 g/mol, XLogP of 1.61, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzaldehyde;N-methoxy-N-methylmethanamine is sourced from PubChem (CID 145337706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).