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

C14H21NO2 — CID 115349672

IUPAC4-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)butan-1-amine
SMILESCOc1cc2c(cc1CCCCN)OC(C)C2
InChIInChI=1S/C14H21NO2/c1-10-7-12-9-13(16-2)11(5-3-4-6-15)8-14(12)17-10/h8-10H,3-7,15H2,1-2H3
InChIKeyGHOATKBPBIDLEV-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.30
Rot. Bonds5

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

4-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)butan-1-amine (PubChem CID 115349672) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 4-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)butan-1-amine.

Molecular Properties

Compound Name4-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)butan-1-amine
PubChem CID115349672
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name4-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)butan-1-amine
SMILESCOc1cc2c(cc1CCCCN)OC(C)C2
InChIInChI=1S/C14H21NO2/c1-10-7-12-9-13(16-2)11(5-3-4-6-15)8-14(12)17-10/h8-10H,3-7,15H2,1-2H3
InChIKeyGHOATKBPBIDLEV-UHFFFAOYSA-N
XLogP2.30
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)ethanamine
CID 3951670
2-(6-methoxy-2-methyl-2,3-dihydro-1-benzofuran-5-yl)ethanamine
CID 83883232
2-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)acetic acid
CID 83890473
N-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]pentan-3-amine
CID 78910481
N-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]prop-2-yn-1-amine
CID 78910545
N-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]oxetan-3-amine
CID 115349694
N-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]cyclopentanamine
CID 78910434
2-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methylamino]acetamide
CID 78911544
4-(5-chloro-2-methyl-2,3-dihydro-1-benzofuran-7-yl)butan-1-amine
CID 117352257
3-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]pyrrolidine
CID 113291945
1,1-diethyl-2-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]guanidine
CID 75513863
3-ethoxy-N-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]propan-1-amine
CID 78910435

Frequently Asked Questions

What is the IUPAC name of 4-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)butan-1-amine?
The IUPAC name of 4-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)butan-1-amine (CID 115349672) is 4-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)butan-1-amine.
What is the SMILES notation for 4-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)butan-1-amine?
The canonical SMILES for 4-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)butan-1-amine is COc1cc2c(cc1CCCCN)OC(C)C2.
What is the InChIKey of 4-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)butan-1-amine?
The InChIKey is GHOATKBPBIDLEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-10-7-12-9-13(16-2)11(5-3-4-6-15)8-14(12)17-10/h8-10H,3-7,15H2,1-2H3.
What are the key properties of 4-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)butan-1-amine?
4-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)butan-1-amine has a molecular weight of 235.33 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)butan-1-amine is sourced from PubChem (CID 115349672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).