3-(2-benzylphenyl)pyrrolidine-1-carbaldehyde

C18H19NO — CID 12804798

IUPAC3-(2-benzylphenyl)pyrrolidine-1-carbaldehyde
SMILESO=CN1CCC(c2ccccc2Cc2ccccc2)C1
InChIInChI=1S/C18H19NO/c20-14-19-11-10-17(13-19)18-9-5-4-8-16(18)12-15-6-2-1-3-7-15/h1-9,14,17H,10-13H2
InChIKeyPMYACHWKPMDLSP-UHFFFAOYSA-N
MW265.36 g/mol
LogP3.22
Rot. Bonds4

About 3-(2-benzylphenyl)pyrrolidine-1-carbaldehyde

3-(2-benzylphenyl)pyrrolidine-1-carbaldehyde (PubChem CID 12804798) has the molecular formula C18H19NO and a molecular weight of 265.36 g/mol. Its IUPAC name is 3-(2-benzylphenyl)pyrrolidine-1-carbaldehyde.

Molecular Properties

Compound Name3-(2-benzylphenyl)pyrrolidine-1-carbaldehyde
PubChem CID12804798
Molecular FormulaC18H19NO
Molecular Weight265.36 g/mol
Exact Mass265.15
IUPAC Name3-(2-benzylphenyl)pyrrolidine-1-carbaldehyde
SMILESO=CN1CCC(c2ccccc2Cc2ccccc2)C1
InChIInChI=1S/C18H19NO/c20-14-19-11-10-17(13-19)18-9-5-4-8-16(18)12-15-6-2-1-3-7-15/h1-9,14,17H,10-13H2
InChIKeyPMYACHWKPMDLSP-UHFFFAOYSA-N
XLogP3.22
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-Phenyl-1-(3-phenylpyrrolidin-1-yl)ethanone
CID 4388725
5,7-dihydro-6H-dibenzo[c,e]azepine-6-carbaldehyde
CID 872028
1-[2-[(1R,3R)-3-phenylcyclohexyl]ethyl]pyrrolidine
CID 162646898
1-[2-[(1R,3S)-3-phenylcyclohexyl]ethyl]pyrrolidine
CID 162649870
(2E)-3-phenyl-1-(3-phenylpyrrolidin-1-yl)prop-2-en-1-one
CID 5729968
1-Methyl-3-[2-(3-methylphenyl)phenyl]pyrrolidine
CID 46205699
1-Methyl-3-[2-(4-methylphenyl)phenyl]pyrrolidine
CID 46205701
3-[2-(3,4-Dimethylphenyl)phenyl]-1-methylpyrrolidine
CID 46206018
1-Methyl-3-[2-(2-methylphenyl)phenyl]pyrrolidine
CID 46206020
Formamide, N-((5H-dibenzo(a,d)cyclohepten-5-yl)methyl)-
CID 202619
1-(3-Phenylpyrrolidin-1-yl)ethanone
CID 12200208
N-formyl-4-(diphenylmethyl)piperidine
CID 13093871

Frequently Asked Questions

What is the IUPAC name of 3-(2-benzylphenyl)pyrrolidine-1-carbaldehyde?
The IUPAC name of 3-(2-benzylphenyl)pyrrolidine-1-carbaldehyde (CID 12804798) is 3-(2-benzylphenyl)pyrrolidine-1-carbaldehyde.
What is the SMILES notation for 3-(2-benzylphenyl)pyrrolidine-1-carbaldehyde?
The canonical SMILES for 3-(2-benzylphenyl)pyrrolidine-1-carbaldehyde is O=CN1CCC(c2ccccc2Cc2ccccc2)C1.
What is the InChIKey of 3-(2-benzylphenyl)pyrrolidine-1-carbaldehyde?
The InChIKey is PMYACHWKPMDLSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO/c20-14-19-11-10-17(13-19)18-9-5-4-8-16(18)12-15-6-2-1-3-7-15/h1-9,14,17H,10-13H2.
What are the key properties of 3-(2-benzylphenyl)pyrrolidine-1-carbaldehyde?
3-(2-benzylphenyl)pyrrolidine-1-carbaldehyde has a molecular weight of 265.36 g/mol, XLogP of 3.22, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-benzylphenyl)pyrrolidine-1-carbaldehyde is sourced from PubChem (CID 12804798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).