2-[2-(methylaminomethyl)phenyl]acetaldehyde

C10H13NO — CID 54060686

IUPAC2-[2-(methylaminomethyl)phenyl]acetaldehyde
SMILESCNCc1ccccc1CC=O
InChIInChI=1S/C10H13NO/c1-11-8-10-5-3-2-4-9(10)6-7-12/h2-5,7,11H,6,8H2,1H3
InChIKeyZVCZHPBNGRXRFW-UHFFFAOYSA-N
MW163.22 g/mol
LogP1.15
Rot. Bonds4

About 2-[2-(methylaminomethyl)phenyl]acetaldehyde

2-[2-(methylaminomethyl)phenyl]acetaldehyde (PubChem CID 54060686) has the molecular formula C10H13NO and a molecular weight of 163.22 g/mol. Its IUPAC name is 2-[2-(methylaminomethyl)phenyl]acetaldehyde.

Molecular Properties

Compound Name2-[2-(methylaminomethyl)phenyl]acetaldehyde
PubChem CID54060686
Molecular FormulaC10H13NO
Molecular Weight163.22 g/mol
Exact Mass163.10
IUPAC Name2-[2-(methylaminomethyl)phenyl]acetaldehyde
SMILESCNCc1ccccc1CC=O
InChIInChI=1S/C10H13NO/c1-11-8-10-5-3-2-4-9(10)6-7-12/h2-5,7,11H,6,8H2,1H3
InChIKeyZVCZHPBNGRXRFW-UHFFFAOYSA-N
XLogP1.15
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 51.15
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

2-[2-(aminomethyl)phenyl]acetaldehyde
CID 20545258
2-(2-prop-2-enylphenyl)acetaldehyde
CID 134852101
N-methylmethanamine;2-phenylacetaldehyde
CID 175168726
N-methyl-N-[[2-(methylaminomethyl)phenyl]methyl]butan-1-amine
CID 62424027
N-methyl-2-(methylaminomethyl)aniline
CID 576504
N-methyl-1-[2-(2,2,2-trifluoroethyl)phenyl]methanamine
CID 82608402
N-(3-ethylpentan-2-yl)-2-(methylaminomethyl)benzenesulfonamide
CID 106063357
3-[2-(propylaminomethyl)phenyl]propanal
CID 135192153
N,N-dimethyl-2-(2-oxoethyl)benzamide
CID 145181093
N-methyl-1-[2-(prop-2-enoxymethyl)phenyl]methanamine
CID 62441319
2-(2-aminophenyl)acetaldehyde;hydrochloride
CID 87322292
oxo-[2-(2-oxoethyl)phenyl]azanium
CID 164775113

Frequently Asked Questions

What is the IUPAC name of 2-[2-(methylaminomethyl)phenyl]acetaldehyde?
The IUPAC name of 2-[2-(methylaminomethyl)phenyl]acetaldehyde (CID 54060686) is 2-[2-(methylaminomethyl)phenyl]acetaldehyde.
What is the SMILES notation for 2-[2-(methylaminomethyl)phenyl]acetaldehyde?
The canonical SMILES for 2-[2-(methylaminomethyl)phenyl]acetaldehyde is CNCc1ccccc1CC=O.
What is the InChIKey of 2-[2-(methylaminomethyl)phenyl]acetaldehyde?
The InChIKey is ZVCZHPBNGRXRFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO/c1-11-8-10-5-3-2-4-9(10)6-7-12/h2-5,7,11H,6,8H2,1H3.
What are the key properties of 2-[2-(methylaminomethyl)phenyl]acetaldehyde?
2-[2-(methylaminomethyl)phenyl]acetaldehyde has a molecular weight of 163.22 g/mol, XLogP of 1.15, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(methylaminomethyl)phenyl]acetaldehyde is sourced from PubChem (CID 54060686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).