2-[2-formyl-6-(pyrrolidin-1-ylmethyl)phenyl]-3-(pyrrolidin-1-ylmethyl)benzaldehyde

C24H28N2O2 — CID 141487632

IUPAC2-[2-formyl-6-(pyrrolidin-1-ylmethyl)phenyl]-3-(pyrrolidin-1-ylmethyl)benzaldehyde
SMILESO=Cc1cccc(CN2CCCC2)c1-c1c(C=O)cccc1CN1CCCC1
InChIInChI=1S/C24H28N2O2/c27-17-21-9-5-7-19(15-25-11-1-2-12-25)23(21)24-20(8-6-10-22(24)18-28)16-26-13-3-4-14-26/h5-10,17-18H,1-4,11-16H2
InChIKeyZKFFGMCAMVUHOT-UHFFFAOYSA-N
MW376.50 g/mol
LogP4.17
Rot. Bonds7

About 2-[2-formyl-6-(pyrrolidin-1-ylmethyl)phenyl]-3-(pyrrolidin-1-ylmethyl)benzaldehyde

2-[2-formyl-6-(pyrrolidin-1-ylmethyl)phenyl]-3-(pyrrolidin-1-ylmethyl)benzaldehyde (PubChem CID 141487632) has the molecular formula C24H28N2O2 and a molecular weight of 376.50 g/mol. Its IUPAC name is 2-[2-formyl-6-(pyrrolidin-1-ylmethyl)phenyl]-3-(pyrrolidin-1-ylmethyl)benzaldehyde.

Molecular Properties

Compound Name2-[2-formyl-6-(pyrrolidin-1-ylmethyl)phenyl]-3-(pyrrolidin-1-ylmethyl)benzaldehyde
PubChem CID141487632
Molecular FormulaC24H28N2O2
Molecular Weight376.50 g/mol
Exact Mass376.22
IUPAC Name2-[2-formyl-6-(pyrrolidin-1-ylmethyl)phenyl]-3-(pyrrolidin-1-ylmethyl)benzaldehyde
SMILESO=Cc1cccc(CN2CCCC2)c1-c1c(C=O)cccc1CN1CCCC1
InChIInChI=1S/C24H28N2O2/c27-17-21-9-5-7-19(15-25-11-1-2-12-25)23(21)24-20(8-6-10-22(24)18-28)16-26-13-3-4-14-26/h5-10,17-18H,1-4,11-16H2
InChIKeyZKFFGMCAMVUHOT-UHFFFAOYSA-N
XLogP4.17
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(thiomorpholin-4-ylmethyl)benzaldehyde
CID 91657440
2,4-dihydroxy-3-(pyrrolidin-1-ylmethyl)benzaldehyde
CID 24825644
2-[2-(pyrrolidin-1-ylmethyl)phenyl]acetic acid
CID 59166357
1-[(2,3-dichlorophenyl)methyl]azetidine
CID 131042479
1-[(2-chlorophenyl)methyl]azepane
CID 17017924
2-(pyrrolidin-1-ylmethyl)benzenethiol
CID 46785608
2-fluoro-3-(pyrrolidin-1-ylmethyl)phenol
CID 68619301
N-(naphthalen-1-ylmethyl)-1-[2-(pyrrolidin-1-ylmethyl)phenyl]methanamine
CID 56809382
1-methyl-4-(pyrrolidin-1-ylmethyl)-2,3-dihydroindole
CID 146317920
2,3-bis(4-propan-2-ylpiperazin-1-yl)-4-(pyrrolidin-1-ylmethyl)benzaldehyde
CID 142778289
2-bromo-6-(pyrrolidin-1-ylmethyl)phenol
CID 78916446
1-[[3-methyl-2-[(Z)-prop-1-enyl]phenyl]methyl]pyrrolidine
CID 143603127

Frequently Asked Questions

What is the IUPAC name of 2-[2-formyl-6-(pyrrolidin-1-ylmethyl)phenyl]-3-(pyrrolidin-1-ylmethyl)benzaldehyde?
The IUPAC name of 2-[2-formyl-6-(pyrrolidin-1-ylmethyl)phenyl]-3-(pyrrolidin-1-ylmethyl)benzaldehyde (CID 141487632) is 2-[2-formyl-6-(pyrrolidin-1-ylmethyl)phenyl]-3-(pyrrolidin-1-ylmethyl)benzaldehyde.
What is the SMILES notation for 2-[2-formyl-6-(pyrrolidin-1-ylmethyl)phenyl]-3-(pyrrolidin-1-ylmethyl)benzaldehyde?
The canonical SMILES for 2-[2-formyl-6-(pyrrolidin-1-ylmethyl)phenyl]-3-(pyrrolidin-1-ylmethyl)benzaldehyde is O=Cc1cccc(CN2CCCC2)c1-c1c(C=O)cccc1CN1CCCC1.
What is the InChIKey of 2-[2-formyl-6-(pyrrolidin-1-ylmethyl)phenyl]-3-(pyrrolidin-1-ylmethyl)benzaldehyde?
The InChIKey is ZKFFGMCAMVUHOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O2/c27-17-21-9-5-7-19(15-25-11-1-2-12-25)23(21)24-20(8-6-10-22(24)18-28)16-26-13-3-4-14-26/h5-10,17-18H,1-4,11-16H2.
What are the key properties of 2-[2-formyl-6-(pyrrolidin-1-ylmethyl)phenyl]-3-(pyrrolidin-1-ylmethyl)benzaldehyde?
2-[2-formyl-6-(pyrrolidin-1-ylmethyl)phenyl]-3-(pyrrolidin-1-ylmethyl)benzaldehyde has a molecular weight of 376.50 g/mol, XLogP of 4.17, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-formyl-6-(pyrrolidin-1-ylmethyl)phenyl]-3-(pyrrolidin-1-ylmethyl)benzaldehyde is sourced from PubChem (CID 141487632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).