2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl-methylamino]-2-(4-methoxyphenyl)ethanol

C20H25NO3 — CID 111488067

IUPAC2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl-methylamino]-2-(4-methoxyphenyl)ethanol
SMILESCOc1ccc(C(CO)N(C)CCc2ccc3c(c2)CCO3)cc1
InChIInChI=1S/C20H25NO3/c1-21(19(14-22)16-4-6-18(23-2)7-5-16)11-9-15-3-8-20-17(13-15)10-12-24-20/h3-8,13,19,22H,9-12,14H2,1-2H3
InChIKeyDMSYXWZAJDHLJE-UHFFFAOYSA-N
MW327.42 g/mol
LogP2.84
Rot. Bonds7

About 2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl-methylamino]-2-(4-methoxyphenyl)ethanol

2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl-methylamino]-2-(4-methoxyphenyl)ethanol (PubChem CID 111488067) has the molecular formula C20H25NO3 and a molecular weight of 327.42 g/mol. Its IUPAC name is 2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl-methylamino]-2-(4-methoxyphenyl)ethanol.

Molecular Properties

Compound Name2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl-methylamino]-2-(4-methoxyphenyl)ethanol
PubChem CID111488067
Molecular FormulaC20H25NO3
Molecular Weight327.42 g/mol
Exact Mass327.18
IUPAC Name2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl-methylamino]-2-(4-methoxyphenyl)ethanol
SMILESCOc1ccc(C(CO)N(C)CCc2ccc3c(c2)CCO3)cc1
InChIInChI=1S/C20H25NO3/c1-21(19(14-22)16-4-6-18(23-2)7-5-16)11-9-15-3-8-20-17(13-15)10-12-24-20/h3-8,13,19,22H,9-12,14H2,1-2H3
InChIKeyDMSYXWZAJDHLJE-UHFFFAOYSA-N
XLogP2.84
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.42
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)ethanesulfonamide
CID 71798200
N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-N-methylcarbamoyl bromide
CID 115194145
2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl-methylamino]butanoic acid
CID 65444695
N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-(dimethylamino)ethyl]-4-methoxybenzenesulfonamide
CID 90558041
N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-(4-methoxyphenyl)propanamide
CID 110792396
N'-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-N'-methylmethanediamine
CID 115226278
1-(2,3-dihydro-1-benzofuran-5-yl)-3-(4-methoxyphenyl)propan-1-one
CID 43338452
2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl-(2-methoxyethyl)amino]ethanol
CID 115665475
1-(3,4-dihydro-2H-chromen-6-yl)-2-(4-methoxyphenyl)ethanamine
CID 61026713
N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyethyl]-3-(4-methoxyphenyl)propanamide
CID 86263918
2-(2,3-dihydro-1-benzofuran-5-yl)ethyl-methylcyanamide
CID 117043556
2-(4-methoxyphenyl)-2-[methyl(2-propan-2-yloxyethyl)amino]ethanol
CID 111122510

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl-methylamino]-2-(4-methoxyphenyl)ethanol?
The IUPAC name of 2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl-methylamino]-2-(4-methoxyphenyl)ethanol (CID 111488067) is 2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl-methylamino]-2-(4-methoxyphenyl)ethanol.
What is the SMILES notation for 2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl-methylamino]-2-(4-methoxyphenyl)ethanol?
The canonical SMILES for 2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl-methylamino]-2-(4-methoxyphenyl)ethanol is COc1ccc(C(CO)N(C)CCc2ccc3c(c2)CCO3)cc1.
What is the InChIKey of 2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl-methylamino]-2-(4-methoxyphenyl)ethanol?
The InChIKey is DMSYXWZAJDHLJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO3/c1-21(19(14-22)16-4-6-18(23-2)7-5-16)11-9-15-3-8-20-17(13-15)10-12-24-20/h3-8,13,19,22H,9-12,14H2,1-2H3.
What are the key properties of 2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl-methylamino]-2-(4-methoxyphenyl)ethanol?
2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl-methylamino]-2-(4-methoxyphenyl)ethanol has a molecular weight of 327.42 g/mol, XLogP of 2.84, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl-methylamino]-2-(4-methoxyphenyl)ethanol is sourced from PubChem (CID 111488067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).