3-bromo-2-methylbenzaldehyde;N-methoxy-N-methylmethanamine

C11H16BrNO2 — CID 144635456

IUPAC3-bromo-2-methylbenzaldehyde;N-methoxy-N-methylmethanamine
SMILESCON(C)C.Cc1c(Br)cccc1C=O
InChIInChI=1S/C8H7BrO.C3H9NO/c1-6-7(5-10)3-2-4-8(6)9;1-4(2)5-3/h2-5H,1H3;1-3H3
InChIKeyLQHWAOHKBQFUFY-UHFFFAOYSA-N
MW274.16 g/mol
LogP2.68
Rot. Bonds2

About 3-bromo-2-methylbenzaldehyde;N-methoxy-N-methylmethanamine

3-bromo-2-methylbenzaldehyde;N-methoxy-N-methylmethanamine (PubChem CID 144635456) has the molecular formula C11H16BrNO2 and a molecular weight of 274.16 g/mol. Its IUPAC name is 3-bromo-2-methylbenzaldehyde;N-methoxy-N-methylmethanamine.

Molecular Properties

Compound Name3-bromo-2-methylbenzaldehyde;N-methoxy-N-methylmethanamine
PubChem CID144635456
Molecular FormulaC11H16BrNO2
Molecular Weight274.16 g/mol
Exact Mass273.04
IUPAC Name3-bromo-2-methylbenzaldehyde;N-methoxy-N-methylmethanamine
SMILESCON(C)C.Cc1c(Br)cccc1C=O
InChIInChI=1S/C8H7BrO.C3H9NO/c1-6-7(5-10)3-2-4-8(6)9;1-4(2)5-3/h2-5H,1H3;1-3H3
InChIKeyLQHWAOHKBQFUFY-UHFFFAOYSA-N
XLogP2.68
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.16
LogP ≤ 52.68
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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Related Compounds

3-bromo-2-methylbenzaldehyde;methoxymethane
CID 142299321
3-(3-formyl-2-methylphenyl)-2-methylbenzaldehyde
CID 86188059
2-methyl-3-(methyliminomethyl)benzaldehyde
CID 169204727
benzaldehyde;N-methoxy-N-methylmethanamine
CID 145337706
2,3-dimethylbenzaldehyde;hydrazine
CID 158628869
2-(aminomethyl)-3-bromobenzaldehyde
CID 123452116
8-bromonaphthalene-1-carbaldehyde
CID 13067255
3-(diethylamino)-2-methylbenzaldehyde
CID 88960180
1-bromo-3-methoxy-2-methylbenzene
CID 18505255
3-bromo-N,N,2-trimethylaniline
CID 107640986
4-bromo-2-fluoro-3-methylbenzaldehyde
CID 99769903
3-bromo-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzaldehyde
CID 104563415

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-methylbenzaldehyde;N-methoxy-N-methylmethanamine?
The IUPAC name of 3-bromo-2-methylbenzaldehyde;N-methoxy-N-methylmethanamine (CID 144635456) is 3-bromo-2-methylbenzaldehyde;N-methoxy-N-methylmethanamine.
What is the SMILES notation for 3-bromo-2-methylbenzaldehyde;N-methoxy-N-methylmethanamine?
The canonical SMILES for 3-bromo-2-methylbenzaldehyde;N-methoxy-N-methylmethanamine is CON(C)C.Cc1c(Br)cccc1C=O.
What is the InChIKey of 3-bromo-2-methylbenzaldehyde;N-methoxy-N-methylmethanamine?
The InChIKey is LQHWAOHKBQFUFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrO.C3H9NO/c1-6-7(5-10)3-2-4-8(6)9;1-4(2)5-3/h2-5H,1H3;1-3H3.
What are the key properties of 3-bromo-2-methylbenzaldehyde;N-methoxy-N-methylmethanamine?
3-bromo-2-methylbenzaldehyde;N-methoxy-N-methylmethanamine has a molecular weight of 274.16 g/mol, XLogP of 2.68, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-methylbenzaldehyde;N-methoxy-N-methylmethanamine is sourced from PubChem (CID 144635456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).