3-(5-methoxy-6-methyl-2,3-dihydro-1-benzofuran-4-yl)butan-1-amine

C14H21NO2 — CID 117342898

IUPAC3-(5-methoxy-6-methyl-2,3-dihydro-1-benzofuran-4-yl)butan-1-amine
SMILESCOc1c(C)cc2c(c1C(C)CCN)CCO2
InChIInChI=1S/C14H21NO2/c1-9(4-6-15)13-11-5-7-17-12(11)8-10(2)14(13)16-3/h8-9H,4-7,15H2,1-3H3
InChIKeyPKAGKSUHLHBYDH-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.39
Rot. Bonds4

About 3-(5-methoxy-6-methyl-2,3-dihydro-1-benzofuran-4-yl)butan-1-amine

3-(5-methoxy-6-methyl-2,3-dihydro-1-benzofuran-4-yl)butan-1-amine (PubChem CID 117342898) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 3-(5-methoxy-6-methyl-2,3-dihydro-1-benzofuran-4-yl)butan-1-amine.

Molecular Properties

Compound Name3-(5-methoxy-6-methyl-2,3-dihydro-1-benzofuran-4-yl)butan-1-amine
PubChem CID117342898
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name3-(5-methoxy-6-methyl-2,3-dihydro-1-benzofuran-4-yl)butan-1-amine
SMILESCOc1c(C)cc2c(c1C(C)CCN)CCO2
InChIInChI=1S/C14H21NO2/c1-9(4-6-15)13-11-5-7-17-12(11)8-10(2)14(13)16-3/h8-9H,4-7,15H2,1-3H3
InChIKeyPKAGKSUHLHBYDH-UHFFFAOYSA-N
XLogP2.39
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chloro-5-methoxy-2,3-dihydro-1-benzofuran-6-yl)propan-1-amine
CID 83899193
3-(4-methoxy-3-methyl-5-propan-2-ylphenyl)butan-1-amine
CID 117343733
3-(5,6-dimethyl-1,3-benzodioxol-4-yl)butan-1-amine
CID 117316752
1-(5-methoxy-6-methyl-2,3-dihydro-1-benzofuran-4-yl)cyclopropane-1-carboxylic acid
CID 117373348
5-(methoxymethyl)-4,6-dimethyl-2,3-dihydro-1-benzofuran
CID 159719962
3-(4-bromo-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)butan-1-amine
CID 117497211
3-(5-methyl-1,3-benzodioxol-4-yl)butan-1-amine
CID 117296343
(1R)-3-amino-1-(4-methoxy-3,5-dimethylphenyl)propan-1-ol
CID 96774274
3-(6,7-difluoro-2,3-dihydro-1,4-benzodioxin-5-yl)butan-1-amine
CID 117359405
4-butan-2-yl-5-methyl-2,3-dihydro-1-benzofuran
CID 88975705
3-(5-methoxy-6-methyl-2,3-dihydro-1-benzofuran-4-yl)-1,2-oxazole-5-carboxylic acid
CID 117439841
3-(4-methoxy-2,3-dihydro-1H-inden-5-yl)butan-1-amine
CID 117313271

Frequently Asked Questions

What is the IUPAC name of 3-(5-methoxy-6-methyl-2,3-dihydro-1-benzofuran-4-yl)butan-1-amine?
The IUPAC name of 3-(5-methoxy-6-methyl-2,3-dihydro-1-benzofuran-4-yl)butan-1-amine (CID 117342898) is 3-(5-methoxy-6-methyl-2,3-dihydro-1-benzofuran-4-yl)butan-1-amine.
What is the SMILES notation for 3-(5-methoxy-6-methyl-2,3-dihydro-1-benzofuran-4-yl)butan-1-amine?
The canonical SMILES for 3-(5-methoxy-6-methyl-2,3-dihydro-1-benzofuran-4-yl)butan-1-amine is COc1c(C)cc2c(c1C(C)CCN)CCO2.
What is the InChIKey of 3-(5-methoxy-6-methyl-2,3-dihydro-1-benzofuran-4-yl)butan-1-amine?
The InChIKey is PKAGKSUHLHBYDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-9(4-6-15)13-11-5-7-17-12(11)8-10(2)14(13)16-3/h8-9H,4-7,15H2,1-3H3.
What are the key properties of 3-(5-methoxy-6-methyl-2,3-dihydro-1-benzofuran-4-yl)butan-1-amine?
3-(5-methoxy-6-methyl-2,3-dihydro-1-benzofuran-4-yl)butan-1-amine has a molecular weight of 235.33 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methoxy-6-methyl-2,3-dihydro-1-benzofuran-4-yl)butan-1-amine is sourced from PubChem (CID 117342898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).