3-(methylaminomethyl)benzaldehyde

C9H11NO — CID 20724862

IUPAC3-(methylaminomethyl)benzaldehyde
SMILESCNCc1cccc(C=O)c1
InChIInChI=1S/C9H11NO/c1-10-6-8-3-2-4-9(5-8)7-11/h2-5,7,10H,6H2,1H3
InChIKeyFOSYRVRDCZJFEY-UHFFFAOYSA-N
MW149.19 g/mol
LogP1.22
Rot. Bonds3

About 3-(methylaminomethyl)benzaldehyde

3-(methylaminomethyl)benzaldehyde (PubChem CID 20724862) has the molecular formula C9H11NO and a molecular weight of 149.19 g/mol. Its IUPAC name is 3-(methylaminomethyl)benzaldehyde.

Molecular Properties

Compound Name3-(methylaminomethyl)benzaldehyde
PubChem CID20724862
Molecular FormulaC9H11NO
Molecular Weight149.19 g/mol
Exact Mass149.08
IUPAC Name3-(methylaminomethyl)benzaldehyde
SMILESCNCc1cccc(C=O)c1
InChIInChI=1S/C9H11NO/c1-10-6-8-3-2-4-9(5-8)7-11/h2-5,7,10H,6H2,1H3
InChIKeyFOSYRVRDCZJFEY-UHFFFAOYSA-N
XLogP1.22
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.19
LogP ≤ 51.22
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

3-(ethylaminomethyl)benzaldehyde
CID 90105279
4-[3-(methylaminomethyl)phenyl]but-3-enal
CID 170481882
3-(anilinomethyl)benzaldehyde
CID 87371298
3-(2-oxoethyl)benzaldehyde
CID 54321672
3,4-dihydroxybenzaldehyde;N-methyl-1-phenylmethanamine
CID 175403126
(2S)-2-chloro-N-[(3-formylphenyl)methyl]propanamide
CID 125457023
3-[[(2-sulfanylphenyl)methylamino]methyl]benzaldehyde
CID 142303725
3-(4-methylpentyl)benzaldehyde
CID 139685907
benzene-1,3-dicarbaldehyde;ethane
CID 91375977
3-[[3-[[3-[[3-[(3-formylphenyl)methoxymethyl]phenyl]methoxymethyl]phenyl]methoxymethyl]phenyl]methoxymethyl]benzaldehyde
CID 11028483
3-(3-formylphenyl)-2-methylpropanenitrile
CID 58949905
3-prop-2-ynylbenzaldehyde
CID 55262963

Frequently Asked Questions

What is the IUPAC name of 3-(methylaminomethyl)benzaldehyde?
The IUPAC name of 3-(methylaminomethyl)benzaldehyde (CID 20724862) is 3-(methylaminomethyl)benzaldehyde.
What is the SMILES notation for 3-(methylaminomethyl)benzaldehyde?
The canonical SMILES for 3-(methylaminomethyl)benzaldehyde is CNCc1cccc(C=O)c1.
What is the InChIKey of 3-(methylaminomethyl)benzaldehyde?
The InChIKey is FOSYRVRDCZJFEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO/c1-10-6-8-3-2-4-9(5-8)7-11/h2-5,7,10H,6H2,1H3.
What are the key properties of 3-(methylaminomethyl)benzaldehyde?
3-(methylaminomethyl)benzaldehyde has a molecular weight of 149.19 g/mol, XLogP of 1.22, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylaminomethyl)benzaldehyde is sourced from PubChem (CID 20724862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).