2-[[3-(5-methyl-3-pyridinyl)phenyl]methylamino]acetaldehyde

C15H16N2O — CID 143831871

IUPAC2-[[3-(5-methyl-3-pyridinyl)phenyl]methylamino]acetaldehyde
SMILESCc1cncc(-c2cccc(CNCC=O)c2)c1
InChIInChI=1S/C15H16N2O/c1-12-7-15(11-17-9-12)14-4-2-3-13(8-14)10-16-5-6-18/h2-4,6-9,11,16H,5,10H2,1H3
InChIKeyQBFGCYBZNVWOGJ-UHFFFAOYSA-N
MW240.31 g/mol
LogP2.35
Rot. Bonds5

About 2-[[3-(5-methyl-3-pyridinyl)phenyl]methylamino]acetaldehyde

2-[[3-(5-methyl-3-pyridinyl)phenyl]methylamino]acetaldehyde (PubChem CID 143831871) has the molecular formula C15H16N2O and a molecular weight of 240.31 g/mol. Its IUPAC name is 2-[[3-(5-methyl-3-pyridinyl)phenyl]methylamino]acetaldehyde.

Molecular Properties

Compound Name2-[[3-(5-methyl-3-pyridinyl)phenyl]methylamino]acetaldehyde
PubChem CID143831871
Molecular FormulaC15H16N2O
Molecular Weight240.31 g/mol
Exact Mass240.13
IUPAC Name2-[[3-(5-methyl-3-pyridinyl)phenyl]methylamino]acetaldehyde
SMILESCc1cncc(-c2cccc(CNCC=O)c2)c1
InChIInChI=1S/C15H16N2O/c1-12-7-15(11-17-9-12)14-4-2-3-13(8-14)10-16-5-6-18/h2-4,6-9,11,16H,5,10H2,1H3
InChIKeyQBFGCYBZNVWOGJ-UHFFFAOYSA-N
XLogP2.35
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-Methyl-N-(3-pyridin-3-ylbenzyl)amine
CID 7060576
(3-Methoxy-propyl)-(phenyl-pyridin-4-yl-methyl)-amine
CID 6602533
N-methyl-1-[4-[5-[4-(methylaminomethyl)phenyl]-3-pyridinyl]phenyl]methanamine
CID 156013649
(3-Ethoxy-propyl)-(phenyl-pyridin-4-yl-methyl)-amine
CID 3153479
N-(Phenyl-pyridin-3-yl-methyl)-acetamide
CID 542029
(2E)-N-methyl-2-(2-oxoethylidene)-1-pyridin-3-ylcyclohexane-1-carbothioamide
CID 10401138
N-methyl(3-(pyridin-4-yl)phenyl)methanamine
CID 7060574
[3-(Pyridin-3-yl)phenyl]methanamine
CID 59817954
N-[3-phenyl-3-(pyridin-2-yl)propyl]acetamide
CID 524049
[(3,5-Dimethylphenyl)(pyridin-3-yl)methyl](ethyl)amine
CID 50987974
N-(2-methoxyethyl)-1-(4-pyridin-3-ylphenyl)ethanamine
CID 84599092
N-[3-phenyl-3-(pyridin-2-yl)propyl]formamide
CID 133052760

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(5-methyl-3-pyridinyl)phenyl]methylamino]acetaldehyde?
The IUPAC name of 2-[[3-(5-methyl-3-pyridinyl)phenyl]methylamino]acetaldehyde (CID 143831871) is 2-[[3-(5-methyl-3-pyridinyl)phenyl]methylamino]acetaldehyde.
What is the SMILES notation for 2-[[3-(5-methyl-3-pyridinyl)phenyl]methylamino]acetaldehyde?
The canonical SMILES for 2-[[3-(5-methyl-3-pyridinyl)phenyl]methylamino]acetaldehyde is Cc1cncc(-c2cccc(CNCC=O)c2)c1.
What is the InChIKey of 2-[[3-(5-methyl-3-pyridinyl)phenyl]methylamino]acetaldehyde?
The InChIKey is QBFGCYBZNVWOGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O/c1-12-7-15(11-17-9-12)14-4-2-3-13(8-14)10-16-5-6-18/h2-4,6-9,11,16H,5,10H2,1H3.
What are the key properties of 2-[[3-(5-methyl-3-pyridinyl)phenyl]methylamino]acetaldehyde?
2-[[3-(5-methyl-3-pyridinyl)phenyl]methylamino]acetaldehyde has a molecular weight of 240.31 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(5-methyl-3-pyridinyl)phenyl]methylamino]acetaldehyde is sourced from PubChem (CID 143831871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).