[1-(7-methoxy-2-methyl-1-benzofuran-4-yl)cyclopentyl]methanamine

C16H21NO2 — CID 117402303

IUPAC[1-(7-methoxy-2-methyl-1-benzofuran-4-yl)cyclopentyl]methanamine
SMILESCOc1ccc(C2(CN)CCCC2)c2cc(C)oc12
InChIInChI=1S/C16H21NO2/c1-11-9-12-13(16(10-17)7-3-4-8-16)5-6-14(18-2)15(12)19-11/h5-6,9H,3-4,7-8,10,17H2,1-2H3
InChIKeyXIVSDUJOJLRKET-UHFFFAOYSA-N
MW259.35 g/mol
LogP3.52
Rot. Bonds3

About [1-(7-methoxy-2-methyl-1-benzofuran-4-yl)cyclopentyl]methanamine

[1-(7-methoxy-2-methyl-1-benzofuran-4-yl)cyclopentyl]methanamine (PubChem CID 117402303) has the molecular formula C16H21NO2 and a molecular weight of 259.35 g/mol. Its IUPAC name is [1-(7-methoxy-2-methyl-1-benzofuran-4-yl)cyclopentyl]methanamine.

Molecular Properties

Compound Name[1-(7-methoxy-2-methyl-1-benzofuran-4-yl)cyclopentyl]methanamine
PubChem CID117402303
Molecular FormulaC16H21NO2
Molecular Weight259.35 g/mol
Exact Mass259.16
IUPAC Name[1-(7-methoxy-2-methyl-1-benzofuran-4-yl)cyclopentyl]methanamine
SMILESCOc1ccc(C2(CN)CCCC2)c2cc(C)oc12
InChIInChI=1S/C16H21NO2/c1-11-9-12-13(16(10-17)7-3-4-8-16)5-6-14(18-2)15(12)19-11/h5-6,9H,3-4,7-8,10,17H2,1-2H3
InChIKeyXIVSDUJOJLRKET-UHFFFAOYSA-N
XLogP3.52
TPSA48.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(4-chloro-7-methoxy-2-methyl-1-benzofuran-5-yl)cyclohexyl]methanamine
CID 117492783
4-(1-isocyanatocyclopentyl)-7-methoxy-2-methyl-1-benzofuran
CID 117431005
2-(7-methoxy-2-methyl-1-benzofuran-4-yl)-2-methylpyrrolidine
CID 82622635
[1-(3-bromo-2,4-dimethoxyphenyl)cyclopentyl]methanamine
CID 117499488
6-[1-(aminomethyl)cyclopentyl]-3-methoxy-2-methylphenol
CID 117342791
6-[1-(aminomethyl)cyclohexyl]-2,3-dimethoxyphenol
CID 117417803
[1-(3-ethyl-2,4-dimethoxyphenyl)cyclohexyl]methanamine
CID 117444901
[1-(2,3-dimethoxy-5-methylphenyl)cyclopentyl]methanamine
CID 117377027
[1-[3,4-dimethoxy-2-(methoxymethyl)phenyl]cyclopentyl]methanamine
CID 117448334
[1-(2,5-dimethoxy-4-methylphenyl)cyclopentyl]methanamine
CID 82499041
[1-(2-chloro-3,4-dimethoxyphenyl)cyclobutyl]methanamine
CID 117392400
[1-(2,3,6-trimethoxyphenyl)cyclopentyl]methanamine
CID 117417809

Frequently Asked Questions

What is the IUPAC name of [1-(7-methoxy-2-methyl-1-benzofuran-4-yl)cyclopentyl]methanamine?
The IUPAC name of [1-(7-methoxy-2-methyl-1-benzofuran-4-yl)cyclopentyl]methanamine (CID 117402303) is [1-(7-methoxy-2-methyl-1-benzofuran-4-yl)cyclopentyl]methanamine.
What is the SMILES notation for [1-(7-methoxy-2-methyl-1-benzofuran-4-yl)cyclopentyl]methanamine?
The canonical SMILES for [1-(7-methoxy-2-methyl-1-benzofuran-4-yl)cyclopentyl]methanamine is COc1ccc(C2(CN)CCCC2)c2cc(C)oc12.
What is the InChIKey of [1-(7-methoxy-2-methyl-1-benzofuran-4-yl)cyclopentyl]methanamine?
The InChIKey is XIVSDUJOJLRKET-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2/c1-11-9-12-13(16(10-17)7-3-4-8-16)5-6-14(18-2)15(12)19-11/h5-6,9H,3-4,7-8,10,17H2,1-2H3.
What are the key properties of [1-(7-methoxy-2-methyl-1-benzofuran-4-yl)cyclopentyl]methanamine?
[1-(7-methoxy-2-methyl-1-benzofuran-4-yl)cyclopentyl]methanamine has a molecular weight of 259.35 g/mol, XLogP of 3.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(7-methoxy-2-methyl-1-benzofuran-4-yl)cyclopentyl]methanamine is sourced from PubChem (CID 117402303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).