1-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-3-(pyridin-2-ylmethylamino)propan-2-ol;hydrochloride

C19H25ClN2O3 — CID 6602958

IUPAC1-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-3-(pyridin-2-ylmethylamino)propan-2-ol;hydrochloride
SMILESCC1(C)Cc2cccc(OCC(O)CNCc3ccccn3)c2O1.Cl
InChIInChI=1S/C19H24N2O3.ClH/c1-19(2)10-14-6-5-8-17(18(14)24-19)23-13-16(22)12-20-11-15-7-3-4-9-21-15;/h3-9,16,20,22H,10-13H2,1-2H3;1H
InChIKeyDGIMMZIHOWLYCU-UHFFFAOYSA-N
MW364.87 g/mol
LogP2.75
Rot. Bonds7

About 1-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-3-(pyridin-2-ylmethylamino)propan-2-ol;hydrochloride

1-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-3-(pyridin-2-ylmethylamino)propan-2-ol;hydrochloride (PubChem CID 6602958) has the molecular formula C19H25ClN2O3 and a molecular weight of 364.87 g/mol. Its IUPAC name is 1-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-3-(pyridin-2-ylmethylamino)propan-2-ol;hydrochloride.

Molecular Properties

Compound Name1-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-3-(pyridin-2-ylmethylamino)propan-2-ol;hydrochloride
PubChem CID6602958
Molecular FormulaC19H25ClN2O3
Molecular Weight364.87 g/mol
Exact Mass364.16
IUPAC Name1-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-3-(pyridin-2-ylmethylamino)propan-2-ol;hydrochloride
SMILESCC1(C)Cc2cccc(OCC(O)CNCc3ccccn3)c2O1.Cl
InChIInChI=1S/C19H24N2O3.ClH/c1-19(2)10-14-6-5-8-17(18(14)24-19)23-13-16(22)12-20-11-15-7-3-4-9-21-15;/h3-9,16,20,22H,10-13H2,1-2H3;1H
InChIKeyDGIMMZIHOWLYCU-UHFFFAOYSA-N
XLogP2.75
TPSA63.61 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.87
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-3-(pyridin-2-ylmethylamino)propan-2-ol;hydrochloride with MolForge

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Related Compounds

N-[[5-(cyclopenten-1-yl)-3-pyridinyl]methyl]-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethanamine
CID 10067360
N-[[5-(cyclopenten-1-yl)-3-pyridinyl]methyl]-2-spiro[3H-1-benzofuran-2,1'-cyclopropane]-7-yloxyethanamine
CID 16109489
2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-pyridin-3-ylacetamide
CID 2525240
(2S)-2-[(S)-(2-ethoxyphenoxy)-(3-methyl-2-pyridinyl)methyl]morpholine
CID 44578969
(2S)-2-[(S)-(5-methyl-2-propan-2-ylphenoxy)-pyridin-2-ylmethyl]morpholine
CID 44579374
(2,3-Dimethoxy-benzyl)-pyridin-2-ylmethyl-amine
CID 871284
2-(3,4-dimethoxyphenyl)-N-(pyridin-2-ylmethyl)ethanamine
CID 1618543
N-{2-[(2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl)oxy]ethyl}-3-(pyridin-3-yl)prop-2-enamide
CID 31826481
(2S)-2-[(S)-(2-ethoxyphenoxy)-(5-ethyl-2-pyridinyl)methyl]morpholine
CID 44578970
N-(2-chloro-3-pyridinyl)-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetamide
CID 2469835
CID 6602890
CID 6602890
3-(benzo[d][1,3]dioxol-5-yl)-6-methyl-N-(pyridin-2-ylmethyl)heptan-1-amine hydrochloride
CID 24747844

Frequently Asked Questions

What is the IUPAC name of 1-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-3-(pyridin-2-ylmethylamino)propan-2-ol;hydrochloride?
The IUPAC name of 1-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-3-(pyridin-2-ylmethylamino)propan-2-ol;hydrochloride (CID 6602958) is 1-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-3-(pyridin-2-ylmethylamino)propan-2-ol;hydrochloride.
What is the SMILES notation for 1-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-3-(pyridin-2-ylmethylamino)propan-2-ol;hydrochloride?
The canonical SMILES for 1-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-3-(pyridin-2-ylmethylamino)propan-2-ol;hydrochloride is CC1(C)Cc2cccc(OCC(O)CNCc3ccccn3)c2O1.Cl.
What is the InChIKey of 1-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-3-(pyridin-2-ylmethylamino)propan-2-ol;hydrochloride?
The InChIKey is DGIMMZIHOWLYCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3.ClH/c1-19(2)10-14-6-5-8-17(18(14)24-19)23-13-16(22)12-20-11-15-7-3-4-9-21-15;/h3-9,16,20,22H,10-13H2,1-2H3;1H.
What are the key properties of 1-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-3-(pyridin-2-ylmethylamino)propan-2-ol;hydrochloride?
1-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-3-(pyridin-2-ylmethylamino)propan-2-ol;hydrochloride has a molecular weight of 364.87 g/mol, XLogP of 2.75, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-3-(pyridin-2-ylmethylamino)propan-2-ol;hydrochloride is sourced from PubChem (CID 6602958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).