2-methyl-4-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]benzaldehyde

C15H22N2O — CID 55171627

IUPAC2-methyl-4-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]benzaldehyde
SMILESCc1cc(N(C)CC2CCN(C)C2)ccc1C=O
InChIInChI=1S/C15H22N2O/c1-12-8-15(5-4-14(12)11-18)17(3)10-13-6-7-16(2)9-13/h4-5,8,11,13H,6-7,9-10H2,1-3H3
InChIKeyMPJKBQRONYDATI-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.20
Rot. Bonds4

About 2-methyl-4-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]benzaldehyde

2-methyl-4-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]benzaldehyde (PubChem CID 55171627) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 2-methyl-4-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]benzaldehyde.

Molecular Properties

Compound Name2-methyl-4-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]benzaldehyde
PubChem CID55171627
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name2-methyl-4-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]benzaldehyde
SMILESCc1cc(N(C)CC2CCN(C)C2)ccc1C=O
InChIInChI=1S/C15H22N2O/c1-12-8-15(5-4-14(12)11-18)17(3)10-13-6-7-16(2)9-13/h4-5,8,11,13H,6-7,9-10H2,1-3H3
InChIKeyMPJKBQRONYDATI-UHFFFAOYSA-N
XLogP2.20
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(bromomethyl)-N,3-dimethyl-N-[(1-methylpyrrolidin-3-yl)methyl]aniline
CID 107083460
N,3-dimethyl-N-[(1-methylpiperidin-4-yl)methyl]-4-nitroaniline
CID 133288077
4-N-methyl-4-N-[(1-methylpyrrolidin-3-yl)methyl]-2-(trifluoromethyl)benzene-1,4-diamine
CID 63276067
3-N,5-dimethyl-3-N-[(1-methylpyrrolidin-3-yl)methyl]benzene-1,3-diamine
CID 112647771
2-amino-N-methyl-4-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]benzenesulfonamide
CID 80642598
4-(2-aminopropyl)-N,3-dimethyl-N-[(1-methylpiperidin-4-yl)methyl]aniline
CID 63793652
N-methyl-4-[1-(methylamino)ethyl]-N-[(1-methylpyrrolidin-3-yl)methyl]aniline
CID 63275836
N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-1,2,3,4-tetrahydroquinolin-6-amine
CID 81215098
N-cyclopropyl-2-(4-formyl-N,3-dimethylanilino)acetamide
CID 62135938
4-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]-2-(trifluoromethyl)benzonitrile
CID 63274111
3-fluoro-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-5-nitroaniline
CID 80748341
2-methyl-4-[3-(1-methylpiperidin-4-yl)propylamino]benzaldehyde
CID 87259784

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]benzaldehyde?
The IUPAC name of 2-methyl-4-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]benzaldehyde (CID 55171627) is 2-methyl-4-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]benzaldehyde.
What is the SMILES notation for 2-methyl-4-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]benzaldehyde?
The canonical SMILES for 2-methyl-4-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]benzaldehyde is Cc1cc(N(C)CC2CCN(C)C2)ccc1C=O.
What is the InChIKey of 2-methyl-4-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]benzaldehyde?
The InChIKey is MPJKBQRONYDATI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-12-8-15(5-4-14(12)11-18)17(3)10-13-6-7-16(2)9-13/h4-5,8,11,13H,6-7,9-10H2,1-3H3.
What are the key properties of 2-methyl-4-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]benzaldehyde?
2-methyl-4-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]benzaldehyde has a molecular weight of 246.35 g/mol, XLogP of 2.20, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]benzaldehyde is sourced from PubChem (CID 55171627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).