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

C24H26N2O3 — CID 54334579

IUPACN-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-[[4-(3-methoxyphenyl)-2-pyridinyl]methyl]ethanamine
SMILESCCN(Cc1cc(-c2cccc(OC)c2)ccn1)CC1COc2ccccc2O1
InChIInChI=1S/C24H26N2O3/c1-3-26(16-22-17-28-23-9-4-5-10-24(23)29-22)15-20-13-19(11-12-25-20)18-7-6-8-21(14-18)27-2/h4-14,22H,3,15-17H2,1-2H3
InChIKeyTUNYGUCFUHKKME-UHFFFAOYSA-N
MW390.48 g/mol
LogP4.42
Rot. Bonds7

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

N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-[[4-(3-methoxyphenyl)-2-pyridinyl]methyl]ethanamine (PubChem CID 54334579) has the molecular formula C24H26N2O3 and a molecular weight of 390.48 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-[[4-(3-methoxyphenyl)-2-pyridinyl]methyl]ethanamine.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-[[4-(3-methoxyphenyl)-2-pyridinyl]methyl]ethanamine
PubChem CID54334579
Molecular FormulaC24H26N2O3
Molecular Weight390.48 g/mol
Exact Mass390.19
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-[[4-(3-methoxyphenyl)-2-pyridinyl]methyl]ethanamine
SMILESCCN(Cc1cc(-c2cccc(OC)c2)ccn1)CC1COc2ccccc2O1
InChIInChI=1S/C24H26N2O3/c1-3-26(16-22-17-28-23-9-4-5-10-24(23)29-22)15-20-13-19(11-12-25-20)18-7-6-8-21(14-18)27-2/h4-14,22H,3,15-17H2,1-2H3
InChIKeyTUNYGUCFUHKKME-UHFFFAOYSA-N
XLogP4.42
TPSA43.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.48
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-[[4-(3-methoxyphenyl)-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-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]ethanamine
CID 47016247
N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-(3-methoxyphenyl)-N-methylacetamide
CID 93239749
2-(2,3-dihydro-1,4-benzodioxin-3-ylmethylsulfanyl)-4-(4-methoxyphenyl)pyrimidine
CID 4179271
2-[4-[[2,3-dihydro-1,4-benzodioxin-3-ylmethyl(ethyl)amino]methyl]-1,3-thiazol-2-yl]-N-(2-methylphenyl)acetamide
CID 78787861
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-methoxypyrimidin-2-amine
CID 17459236
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-ethyl-4-methoxybenzamide
CID 78711266
1-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3-(3-methoxyphenoxy)azetidine
CID 124755241
ethane;3-ethyl-2,3-dihydro-1,4-benzodioxine
CID 54339181
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-(3-methoxyphenyl)-1-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 20856266
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine
CID 55410002
3-[(3-methylphenoxy)methyl]-2,3-dihydro-1,4-benzodioxine
CID 46849851
1-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-N-[[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]methyl]-N-methylmethanamine
CID 39895302

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-[[4-(3-methoxyphenyl)-2-pyridinyl]methyl]ethanamine?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-[[4-(3-methoxyphenyl)-2-pyridinyl]methyl]ethanamine (CID 54334579) is N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-[[4-(3-methoxyphenyl)-2-pyridinyl]methyl]ethanamine.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-[[4-(3-methoxyphenyl)-2-pyridinyl]methyl]ethanamine?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-[[4-(3-methoxyphenyl)-2-pyridinyl]methyl]ethanamine is CCN(Cc1cc(-c2cccc(OC)c2)ccn1)CC1COc2ccccc2O1.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-[[4-(3-methoxyphenyl)-2-pyridinyl]methyl]ethanamine?
The InChIKey is TUNYGUCFUHKKME-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O3/c1-3-26(16-22-17-28-23-9-4-5-10-24(23)29-22)15-20-13-19(11-12-25-20)18-7-6-8-21(14-18)27-2/h4-14,22H,3,15-17H2,1-2H3.
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-[[4-(3-methoxyphenyl)-2-pyridinyl]methyl]ethanamine?
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-[[4-(3-methoxyphenyl)-2-pyridinyl]methyl]ethanamine has a molecular weight of 390.48 g/mol, XLogP of 4.42, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-[[4-(3-methoxyphenyl)-2-pyridinyl]methyl]ethanamine is sourced from PubChem (CID 54334579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).