4-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-methylbenzaldehyde

C15H22N2O — CID 62888082

IUPAC4-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-methylbenzaldehyde
SMILESCc1cc(N2CCCC2CN(C)C)ccc1C=O
InChIInChI=1S/C15H22N2O/c1-12-9-14(7-6-13(12)11-18)17-8-4-5-15(17)10-16(2)3/h6-7,9,11,15H,4-5,8,10H2,1-3H3
InChIKeySCKFJSJTFXKYFI-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.34
Rot. Bonds4

About 4-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-methylbenzaldehyde

4-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-methylbenzaldehyde (PubChem CID 62888082) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 4-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-methylbenzaldehyde.

Molecular Properties

Compound Name4-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-methylbenzaldehyde
PubChem CID62888082
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name4-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-methylbenzaldehyde
SMILESCc1cc(N2CCCC2CN(C)C)ccc1C=O
InChIInChI=1S/C15H22N2O/c1-12-9-14(7-6-13(12)11-18)17-8-4-5-15(17)10-16(2)3/h6-7,9,11,15H,4-5,8,10H2,1-3H3
InChIKeySCKFJSJTFXKYFI-UHFFFAOYSA-N
XLogP2.34
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 ≤ 52.34
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-(2-ethylpiperidin-1-yl)-2-methylbenzaldehyde
CID 55038666
4-(2-ethylazepan-1-yl)-2-methylbenzaldehyde
CID 104690453
2-methyl-4-(2-methylpyrrolidin-1-yl)benzaldehyde
CID 62135927
3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]benzoic acid
CID 102822897
2-bromo-4-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]benzonitrile
CID 107276305
2-methyl-4-pyrrolidin-1-ylbenzaldehyde
CID 958834
4-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-fluorobenzenecarbothioamide
CID 115368282
2-bromo-4-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N'-hydroxybenzenecarboximidamide
CID 107278710
4-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N'-hydroxybenzenecarboximidamide
CID 76975800
4-[2-(aminomethyl)pyrrolidin-1-yl]-2-methylbenzamide
CID 113284599
(E)-3-[2-methyl-4-(2-propylpiperidin-1-yl)phenyl]prop-2-enoic acid
CID 83044280
4-(2-ethylpyrrolidin-1-yl)-2-methylaniline
CID 60974665

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-methylbenzaldehyde?
The IUPAC name of 4-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-methylbenzaldehyde (CID 62888082) is 4-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-methylbenzaldehyde.
What is the SMILES notation for 4-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-methylbenzaldehyde?
The canonical SMILES for 4-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-methylbenzaldehyde is Cc1cc(N2CCCC2CN(C)C)ccc1C=O.
What is the InChIKey of 4-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-methylbenzaldehyde?
The InChIKey is SCKFJSJTFXKYFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-12-9-14(7-6-13(12)11-18)17-8-4-5-15(17)10-16(2)3/h6-7,9,11,15H,4-5,8,10H2,1-3H3.
What are the key properties of 4-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-methylbenzaldehyde?
4-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-methylbenzaldehyde has a molecular weight of 246.35 g/mol, XLogP of 2.34, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-methylbenzaldehyde is sourced from PubChem (CID 62888082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).