2-[2-[[2-(dimethylamino)ethyl-methylamino]methyl]phenyl]acetaldehyde

C14H22N2O — CID 87948747

IUPAC2-[2-[[2-(dimethylamino)ethyl-methylamino]methyl]phenyl]acetaldehyde
SMILESCN(C)CCN(C)Cc1ccccc1CC=O
InChIInChI=1S/C14H22N2O/c1-15(2)9-10-16(3)12-14-7-5-4-6-13(14)8-11-17/h4-7,11H,8-10,12H2,1-3H3
InChIKeyWIZJWTLQKQSMQZ-UHFFFAOYSA-N
MW234.34 g/mol
LogP1.42
Rot. Bonds7

About 2-[2-[[2-(dimethylamino)ethyl-methylamino]methyl]phenyl]acetaldehyde

2-[2-[[2-(dimethylamino)ethyl-methylamino]methyl]phenyl]acetaldehyde (PubChem CID 87948747) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 2-[2-[[2-(dimethylamino)ethyl-methylamino]methyl]phenyl]acetaldehyde.

Molecular Properties

Compound Name2-[2-[[2-(dimethylamino)ethyl-methylamino]methyl]phenyl]acetaldehyde
PubChem CID87948747
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name2-[2-[[2-(dimethylamino)ethyl-methylamino]methyl]phenyl]acetaldehyde
SMILESCN(C)CCN(C)Cc1ccccc1CC=O
InChIInChI=1S/C14H22N2O/c1-15(2)9-10-16(3)12-14-7-5-4-6-13(14)8-11-17/h4-7,11H,8-10,12H2,1-3H3
InChIKeyWIZJWTLQKQSMQZ-UHFFFAOYSA-N
XLogP1.42
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[2-[[2-(dimethylamino)ethyl-methylamino]methyl]phenyl]acetaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[2-(dimethylamino)ethyl-methylamino]methyl]phenyl]acetaldehyde?
The IUPAC name of 2-[2-[[2-(dimethylamino)ethyl-methylamino]methyl]phenyl]acetaldehyde (CID 87948747) is 2-[2-[[2-(dimethylamino)ethyl-methylamino]methyl]phenyl]acetaldehyde.
What is the SMILES notation for 2-[2-[[2-(dimethylamino)ethyl-methylamino]methyl]phenyl]acetaldehyde?
The canonical SMILES for 2-[2-[[2-(dimethylamino)ethyl-methylamino]methyl]phenyl]acetaldehyde is CN(C)CCN(C)Cc1ccccc1CC=O.
What is the InChIKey of 2-[2-[[2-(dimethylamino)ethyl-methylamino]methyl]phenyl]acetaldehyde?
The InChIKey is WIZJWTLQKQSMQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-15(2)9-10-16(3)12-14-7-5-4-6-13(14)8-11-17/h4-7,11H,8-10,12H2,1-3H3.
What are the key properties of 2-[2-[[2-(dimethylamino)ethyl-methylamino]methyl]phenyl]acetaldehyde?
2-[2-[[2-(dimethylamino)ethyl-methylamino]methyl]phenyl]acetaldehyde has a molecular weight of 234.34 g/mol, XLogP of 1.42, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[2-(dimethylamino)ethyl-methylamino]methyl]phenyl]acetaldehyde is sourced from PubChem (CID 87948747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).