2-[5-methoxy-2-[(2-methoxyphenyl)methyl]-1-benzofuran-3-yl]ethylazanium chloride

C19H22ClNO3 — CID 11759809

IUPAC2-[5-methoxy-2-[(2-methoxyphenyl)methyl]-1-benzofuran-3-yl]ethylazanium chloride
SMILESCOc1ccc2oc(Cc3ccccc3OC)c(CC[NH3+])c2c1.[Cl-]
InChIInChI=1S/C19H21NO3.ClH/c1-21-14-7-8-18-16(12-14)15(9-10-20)19(23-18)11-13-5-3-4-6-17(13)22-2;/h3-8,12H,9-11,20H2,1-2H3;1H
InChIKeyWEHVXPUIJOLHQW-UHFFFAOYSA-N
MW347.84 g/mol
LogP-0.17
Rot. Bonds6

About 2-[5-methoxy-2-[(2-methoxyphenyl)methyl]-1-benzofuran-3-yl]ethylazanium chloride

2-[5-methoxy-2-[(2-methoxyphenyl)methyl]-1-benzofuran-3-yl]ethylazanium chloride (PubChem CID 11759809) has the molecular formula C19H22ClNO3 and a molecular weight of 347.84 g/mol. Its IUPAC name is 2-[5-methoxy-2-[(2-methoxyphenyl)methyl]-1-benzofuran-3-yl]ethylazanium chloride.

Molecular Properties

Compound Name2-[5-methoxy-2-[(2-methoxyphenyl)methyl]-1-benzofuran-3-yl]ethylazanium chloride
PubChem CID11759809
Molecular FormulaC19H22ClNO3
Molecular Weight347.84 g/mol
Exact Mass347.13
IUPAC Name2-[5-methoxy-2-[(2-methoxyphenyl)methyl]-1-benzofuran-3-yl]ethylazanium chloride
SMILESCOc1ccc2oc(Cc3ccccc3OC)c(CC[NH3+])c2c1.[Cl-]
InChIInChI=1S/C19H21NO3.ClH/c1-21-14-7-8-18-16(12-14)15(9-10-20)19(23-18)11-13-5-3-4-6-17(13)22-2;/h3-8,12H,9-11,20H2,1-2H3;1H
InChIKeyWEHVXPUIJOLHQW-UHFFFAOYSA-N
XLogP-0.17
TPSA59.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.84
LogP ≤ 5-0.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-benzyl-5-methoxy-1-benzofuran-3-yl)ethanamine
CID 11023552
2-[5-methoxy-2-[(4-methoxyphenyl)methyl]-1-benzofuran-3-yl]ethanamine
CID 11121585
1-[2-(2-benzyl-5-methoxy-1-benzofuran-3-yl)ethyl]-3-methylurea
CID 10882307
N-[2-(2-benzyl-5-methoxy-1-benzofuran-3-yl)ethyl]but-3-enamide
CID 10926138
N-[2-[2-(furan-2-ylmethyl)-5-methoxy-1-benzofuran-3-yl]ethyl]acetamide
CID 22131201
N-[(5-methoxy-3-propyl-1-benzofuran-2-yl)methyl]cyclopropanamine
CID 114375304
1-[2-(2,4-dimethoxyphenyl)ethyl]-3-[2-(2-methoxyphenyl)ethyl]urea
CID 110408905
5-methoxy-3-propyl-1-benzofuran-2-carboxylic acid
CID 104708339
6-methoxy-2-(2-methoxyphenyl)chromen-4-one
CID 676288
(2,4-dimethoxyphenyl)methyl-[2-(2-methoxyphenyl)ethyl]azanium
CID 2163838
1-[2-(5-methoxy-2-phenyl-1-benzofuran-3-yl)ethyl]-3-methylurea
CID 10925379
N-[[5-methoxy-3-(methoxymethyl)-1-benzofuran-2-yl]methyl]cyclopropanamine
CID 114375292

Frequently Asked Questions

What is the IUPAC name of 2-[5-methoxy-2-[(2-methoxyphenyl)methyl]-1-benzofuran-3-yl]ethylazanium chloride?
The IUPAC name of 2-[5-methoxy-2-[(2-methoxyphenyl)methyl]-1-benzofuran-3-yl]ethylazanium chloride (CID 11759809) is 2-[5-methoxy-2-[(2-methoxyphenyl)methyl]-1-benzofuran-3-yl]ethylazanium chloride.
What is the SMILES notation for 2-[5-methoxy-2-[(2-methoxyphenyl)methyl]-1-benzofuran-3-yl]ethylazanium chloride?
The canonical SMILES for 2-[5-methoxy-2-[(2-methoxyphenyl)methyl]-1-benzofuran-3-yl]ethylazanium chloride is COc1ccc2oc(Cc3ccccc3OC)c(CC[NH3+])c2c1.[Cl-].
What is the InChIKey of 2-[5-methoxy-2-[(2-methoxyphenyl)methyl]-1-benzofuran-3-yl]ethylazanium chloride?
The InChIKey is WEHVXPUIJOLHQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO3.ClH/c1-21-14-7-8-18-16(12-14)15(9-10-20)19(23-18)11-13-5-3-4-6-17(13)22-2;/h3-8,12H,9-11,20H2,1-2H3;1H.
What are the key properties of 2-[5-methoxy-2-[(2-methoxyphenyl)methyl]-1-benzofuran-3-yl]ethylazanium chloride?
2-[5-methoxy-2-[(2-methoxyphenyl)methyl]-1-benzofuran-3-yl]ethylazanium chloride has a molecular weight of 347.84 g/mol, XLogP of -0.17, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-methoxy-2-[(2-methoxyphenyl)methyl]-1-benzofuran-3-yl]ethylazanium chloride is sourced from PubChem (CID 11759809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).