2-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-[(4-phenyl-2-pyridinyl)methyl]ethanamine

C22H22N2O2 — CID 67846112

IUPAC2-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-[(4-phenyl-2-pyridinyl)methyl]ethanamine
SMILESc1ccc(-c2ccnc(CNCCC3COc4ccccc4O3)c2)cc1
InChIInChI=1S/C22H22N2O2/c1-2-6-17(7-3-1)18-10-13-24-19(14-18)15-23-12-11-20-16-25-21-8-4-5-9-22(21)26-20/h1-10,13-14,20,23H,11-12,15-16H2
InChIKeyWYMNHUQBTNHDGO-UHFFFAOYSA-N
MW346.43 g/mol
LogP4.07
Rot. Bonds6

About 2-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-[(4-phenyl-2-pyridinyl)methyl]ethanamine

2-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-[(4-phenyl-2-pyridinyl)methyl]ethanamine (PubChem CID 67846112) has the molecular formula C22H22N2O2 and a molecular weight of 346.43 g/mol. Its IUPAC name is 2-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-[(4-phenyl-2-pyridinyl)methyl]ethanamine.

Molecular Properties

Compound Name2-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-[(4-phenyl-2-pyridinyl)methyl]ethanamine
PubChem CID67846112
Molecular FormulaC22H22N2O2
Molecular Weight346.43 g/mol
Exact Mass346.17
IUPAC Name2-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-[(4-phenyl-2-pyridinyl)methyl]ethanamine
SMILESc1ccc(-c2ccnc(CNCCC3COc4ccccc4O3)c2)cc1
InChIInChI=1S/C22H22N2O2/c1-2-6-17(7-3-1)18-10-13-24-19(14-18)15-23-12-11-20-16-25-21-8-4-5-9-22(21)26-20/h1-10,13-14,20,23H,11-12,15-16H2
InChIKeyWYMNHUQBTNHDGO-UHFFFAOYSA-N
XLogP4.07
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-[(4-phenyl-2-pyridinyl)methyl]ethanamine with MolForge

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

Launch Full Analysis

Related Compounds

N-[2-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]ethyl]-4-pyridin-3-ylpyrimidin-2-amine
CID 97434392
N-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)ethyl]-1,3,5-triazin-2-amine
CID 91787068
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-[[4-(3-methoxyphenyl)-2-pyridinyl]methyl]ethanamine
CID 54334579
3-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methylamino]-4-(pyridin-2-ylmethylamino)cyclobut-3-ene-1,2-dione
CID 98232521
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)pyrimidin-2-amine
CID 3403878
1-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-[(6-phenylpyrimidin-4-yl)methyl]methanesulfonamide
CID 122262236
N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-(2-methoxy-5-phenylphenoxy)ethanamine;hydrochloride
CID 11994668
N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-(2-methoxy-4-phenylphenoxy)ethanamine;hydrochloride
CID 11994670
(3R)-3-(2-chloroethyl)-2,3-dihydro-1,4-benzodioxine
CID 92980685
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N'-pyrimidin-2-ylethane-1,2-diamine
CID 10731942
1-cyclopropyl-3-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)ethyl]-1-(1,3-thiazol-2-ylmethyl)urea
CID 119069451
[2-[2-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]ethyl]-4-pyridinyl]-pyrrolidin-1-ylmethanone
CID 124758079

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-[(4-phenyl-2-pyridinyl)methyl]ethanamine?
The IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-[(4-phenyl-2-pyridinyl)methyl]ethanamine (CID 67846112) is 2-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-[(4-phenyl-2-pyridinyl)methyl]ethanamine.
What is the SMILES notation for 2-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-[(4-phenyl-2-pyridinyl)methyl]ethanamine?
The canonical SMILES for 2-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-[(4-phenyl-2-pyridinyl)methyl]ethanamine is c1ccc(-c2ccnc(CNCCC3COc4ccccc4O3)c2)cc1.
What is the InChIKey of 2-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-[(4-phenyl-2-pyridinyl)methyl]ethanamine?
The InChIKey is WYMNHUQBTNHDGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O2/c1-2-6-17(7-3-1)18-10-13-24-19(14-18)15-23-12-11-20-16-25-21-8-4-5-9-22(21)26-20/h1-10,13-14,20,23H,11-12,15-16H2.
What are the key properties of 2-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-[(4-phenyl-2-pyridinyl)methyl]ethanamine?
2-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-[(4-phenyl-2-pyridinyl)methyl]ethanamine has a molecular weight of 346.43 g/mol, XLogP of 4.07, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-[(4-phenyl-2-pyridinyl)methyl]ethanamine is sourced from PubChem (CID 67846112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).