[3-methyl-4-[3-[methyl(pyridin-3-ylmethyl)amino]propoxy]-1-benzofuran-2-yl]methanol

C20H24N2O3 — CID 22615073

IUPAC[3-methyl-4-[3-[methyl(pyridin-3-ylmethyl)amino]propoxy]-1-benzofuran-2-yl]methanol
SMILESCc1c(CO)oc2cccc(OCCCN(C)Cc3cccnc3)c12
InChIInChI=1S/C20H24N2O3/c1-15-19(14-23)25-18-8-3-7-17(20(15)18)24-11-5-10-22(2)13-16-6-4-9-21-12-16/h3-4,6-9,12,23H,5,10-11,13-14H2,1-2H3
InChIKeyVJLFKPPRUORXLG-UHFFFAOYSA-N
MW340.42 g/mol
LogP3.53
Rot. Bonds8

About [3-methyl-4-[3-[methyl(pyridin-3-ylmethyl)amino]propoxy]-1-benzofuran-2-yl]methanol

[3-methyl-4-[3-[methyl(pyridin-3-ylmethyl)amino]propoxy]-1-benzofuran-2-yl]methanol (PubChem CID 22615073) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is [3-methyl-4-[3-[methyl(pyridin-3-ylmethyl)amino]propoxy]-1-benzofuran-2-yl]methanol.

Molecular Properties

Compound Name[3-methyl-4-[3-[methyl(pyridin-3-ylmethyl)amino]propoxy]-1-benzofuran-2-yl]methanol
PubChem CID22615073
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC Name[3-methyl-4-[3-[methyl(pyridin-3-ylmethyl)amino]propoxy]-1-benzofuran-2-yl]methanol
SMILESCc1c(CO)oc2cccc(OCCCN(C)Cc3cccnc3)c12
InChIInChI=1S/C20H24N2O3/c1-15-19(14-23)25-18-8-3-7-17(20(15)18)24-11-5-10-22(2)13-16-6-4-9-21-12-16/h3-4,6-9,12,23H,5,10-11,13-14H2,1-2H3
InChIKeyVJLFKPPRUORXLG-UHFFFAOYSA-N
XLogP3.53
TPSA58.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [3-methyl-4-[3-[methyl(pyridin-3-ylmethyl)amino]propoxy]-1-benzofuran-2-yl]methanol 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

[4-(3-amino-4-pyridin-3-ylbutoxy)-3-methyl-1-benzofuran-2-yl]methanol
CID 70219903
2-[2-[methyl(pyridin-3-ylmethyl)amino]ethoxy]benzenecarbothioamide
CID 43563443
3-bromo-N-methyl-N-(pyridin-3-ylmethyl)propan-1-amine
CID 61286516
3-[[3-methyl-2-[(2,4,6-trifluorophenoxy)methyl]-1-benzofuran-4-yl]oxy]-N-(pyridin-3-ylmethyl)propan-1-amine
CID 22614968
[3-methyl-4-(1-piperidin-3-yl-2-pyridin-3-ylethoxy)-1-benzofuran-2-yl]methanol
CID 22614970
3-[[3-methyl-2-(2,2,2-trifluoroethoxymethyl)-1-benzofuran-4-yl]oxy]-N-(pyridin-3-ylmethyl)propan-1-amine
CID 22614962
3-[[3-methyl-2-(2-phenylethylsulfanylmethyl)-1-benzofuran-4-yl]oxy]-N-(pyridin-3-ylmethyl)propan-1-amine
CID 22615022
ethyl 4-[3-[ethyl(pyridin-3-yl)amino]propoxy]-3-methyl-1-benzofuran-2-carboxylate
CID 57004696
ethyl 3-methyl-4-[3-(2-pyridin-3-ylethylamino)propoxy]-1-benzofuran-2-carboxylate
CID 510561
tert-butyl N-methyl-N-[(3-methyl-4-pyridin-3-yloxy-1-benzofuran-2-yl)methyl]carbamate
CID 156500216
N'-methyl-N'-(pyridin-3-ylmethyl)butane-1,4-diamine
CID 43563175
3-[amino(1-benzofuran-2-yl)methoxy]-N-methyl-N-(pyridin-3-ylmethyl)propan-1-amine
CID 142001426

Frequently Asked Questions

What is the IUPAC name of [3-methyl-4-[3-[methyl(pyridin-3-ylmethyl)amino]propoxy]-1-benzofuran-2-yl]methanol?
The IUPAC name of [3-methyl-4-[3-[methyl(pyridin-3-ylmethyl)amino]propoxy]-1-benzofuran-2-yl]methanol (CID 22615073) is [3-methyl-4-[3-[methyl(pyridin-3-ylmethyl)amino]propoxy]-1-benzofuran-2-yl]methanol.
What is the SMILES notation for [3-methyl-4-[3-[methyl(pyridin-3-ylmethyl)amino]propoxy]-1-benzofuran-2-yl]methanol?
The canonical SMILES for [3-methyl-4-[3-[methyl(pyridin-3-ylmethyl)amino]propoxy]-1-benzofuran-2-yl]methanol is Cc1c(CO)oc2cccc(OCCCN(C)Cc3cccnc3)c12.
What is the InChIKey of [3-methyl-4-[3-[methyl(pyridin-3-ylmethyl)amino]propoxy]-1-benzofuran-2-yl]methanol?
The InChIKey is VJLFKPPRUORXLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-15-19(14-23)25-18-8-3-7-17(20(15)18)24-11-5-10-22(2)13-16-6-4-9-21-12-16/h3-4,6-9,12,23H,5,10-11,13-14H2,1-2H3.
What are the key properties of [3-methyl-4-[3-[methyl(pyridin-3-ylmethyl)amino]propoxy]-1-benzofuran-2-yl]methanol?
[3-methyl-4-[3-[methyl(pyridin-3-ylmethyl)amino]propoxy]-1-benzofuran-2-yl]methanol has a molecular weight of 340.42 g/mol, XLogP of 3.53, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-4-[3-[methyl(pyridin-3-ylmethyl)amino]propoxy]-1-benzofuran-2-yl]methanol is sourced from PubChem (CID 22615073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).