5-methyl-2-(methylaminomethyl)benzaldehyde

C10H13NO — CID 142196530

IUPAC5-methyl-2-(methylaminomethyl)benzaldehyde
SMILESCNCc1ccc(C)cc1C=O
InChIInChI=1S/C10H13NO/c1-8-3-4-9(6-11-2)10(5-8)7-12/h3-5,7,11H,6H2,1-2H3
InChIKeyXLBJJHFYDYIUPA-UHFFFAOYSA-N
MW163.22 g/mol
LogP1.53
Rot. Bonds3

About 5-methyl-2-(methylaminomethyl)benzaldehyde

5-methyl-2-(methylaminomethyl)benzaldehyde (PubChem CID 142196530) has the molecular formula C10H13NO and a molecular weight of 163.22 g/mol. Its IUPAC name is 5-methyl-2-(methylaminomethyl)benzaldehyde.

Molecular Properties

Compound Name5-methyl-2-(methylaminomethyl)benzaldehyde
PubChem CID142196530
Molecular FormulaC10H13NO
Molecular Weight163.22 g/mol
Exact Mass163.10
IUPAC Name5-methyl-2-(methylaminomethyl)benzaldehyde
SMILESCNCc1ccc(C)cc1C=O
InChIInChI=1S/C10H13NO/c1-8-3-4-9(6-11-2)10(5-8)7-12/h3-5,7,11H,6H2,1-2H3
InChIKeyXLBJJHFYDYIUPA-UHFFFAOYSA-N
XLogP1.53
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-ethyl-2-(methylaminomethyl)benzaldehyde
CID 143512508
5-methyl-2-propylbenzaldehyde
CID 23586663
4-bromo-2-(methylaminomethyl)benzaldehyde
CID 178141211
1-(2,5-dimethylphenyl)-N-methylmethanamine;ethane
CID 142925583
2-ethyl-4-methylbenzaldehyde
CID 58929233
4-methyl-2-[4-(methylamino)but-1-enyl]benzaldehyde
CID 170495666
3-(2-formyl-4-methylphenyl)-2-methylpropanoic acid
CID 117294712
2,5-dimethylbenzaldehyde;ethane
CID 142106726
5-[[(2-hydroxycyclopentyl)amino]methyl]-2-(methylaminomethyl)benzaldehyde
CID 165410632
1-[2-(methoxymethyl)-5-methylphenyl]-N-methylmethanamine
CID 170208514
1,2-diethyl-4-methylbenzene;N-methylethanamine
CID 164855873
4-fluoro-5-methoxy-2-(methylaminomethyl)benzaldehyde
CID 144870158

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(methylaminomethyl)benzaldehyde?
The IUPAC name of 5-methyl-2-(methylaminomethyl)benzaldehyde (CID 142196530) is 5-methyl-2-(methylaminomethyl)benzaldehyde.
What is the SMILES notation for 5-methyl-2-(methylaminomethyl)benzaldehyde?
The canonical SMILES for 5-methyl-2-(methylaminomethyl)benzaldehyde is CNCc1ccc(C)cc1C=O.
What is the InChIKey of 5-methyl-2-(methylaminomethyl)benzaldehyde?
The InChIKey is XLBJJHFYDYIUPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO/c1-8-3-4-9(6-11-2)10(5-8)7-12/h3-5,7,11H,6H2,1-2H3.
What are the key properties of 5-methyl-2-(methylaminomethyl)benzaldehyde?
5-methyl-2-(methylaminomethyl)benzaldehyde has a molecular weight of 163.22 g/mol, XLogP of 1.53, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(methylaminomethyl)benzaldehyde is sourced from PubChem (CID 142196530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).