[2-(2-aminoethyl)phenyl]-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone

C16H22N2O2 — CID 114409665

IUPAC[2-(2-aminoethyl)phenyl]-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
SMILESCOCC1=CCN(C(=O)c2ccccc2CCN)CC1
InChIInChI=1S/C16H22N2O2/c1-20-12-13-7-10-18(11-8-13)16(19)15-5-3-2-4-14(15)6-9-17/h2-5,7H,6,8-12,17H2,1H3
InChIKeyJVCICKIDSYBCGO-UHFFFAOYSA-N
MW274.36 g/mol
LogP1.61
Rot. Bonds5

About [2-(2-aminoethyl)phenyl]-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone

[2-(2-aminoethyl)phenyl]-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone (PubChem CID 114409665) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is [2-(2-aminoethyl)phenyl]-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone.

Molecular Properties

Compound Name[2-(2-aminoethyl)phenyl]-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
PubChem CID114409665
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name[2-(2-aminoethyl)phenyl]-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
SMILESCOCC1=CCN(C(=O)c2ccccc2CCN)CC1
InChIInChI=1S/C16H22N2O2/c1-20-12-13-7-10-18(11-8-13)16(19)15-5-3-2-4-14(15)6-9-17/h2-5,7H,6,8-12,17H2,1H3
InChIKeyJVCICKIDSYBCGO-UHFFFAOYSA-N
XLogP1.61
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [2-(2-aminoethyl)phenyl]-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-(2-aminoethyl)phenyl]-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone?
The IUPAC name of [2-(2-aminoethyl)phenyl]-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone (CID 114409665) is [2-(2-aminoethyl)phenyl]-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone.
What is the SMILES notation for [2-(2-aminoethyl)phenyl]-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone?
The canonical SMILES for [2-(2-aminoethyl)phenyl]-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone is COCC1=CCN(C(=O)c2ccccc2CCN)CC1.
What is the InChIKey of [2-(2-aminoethyl)phenyl]-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone?
The InChIKey is JVCICKIDSYBCGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-20-12-13-7-10-18(11-8-13)16(19)15-5-3-2-4-14(15)6-9-17/h2-5,7H,6,8-12,17H2,1H3.
What are the key properties of [2-(2-aminoethyl)phenyl]-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone?
[2-(2-aminoethyl)phenyl]-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone has a molecular weight of 274.36 g/mol, XLogP of 1.61, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-aminoethyl)phenyl]-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone is sourced from PubChem (CID 114409665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).