1-(1-benzofuran-2-yl)-4-methoxy-N-methylbutan-1-amine

C14H19NO2 — CID 115608859

IUPAC1-(1-benzofuran-2-yl)-4-methoxy-N-methylbutan-1-amine
SMILESCNC(CCCOC)c1cc2ccccc2o1
InChIInChI=1S/C14H19NO2/c1-15-12(7-5-9-16-2)14-10-11-6-3-4-8-13(11)17-14/h3-4,6,8,10,12,15H,5,7,9H2,1-2H3
InChIKeyBPFPMDVCBAYXMD-UHFFFAOYSA-N
MW233.31 g/mol
LogP3.12
Rot. Bonds6

About 1-(1-benzofuran-2-yl)-4-methoxy-N-methylbutan-1-amine

1-(1-benzofuran-2-yl)-4-methoxy-N-methylbutan-1-amine (PubChem CID 115608859) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 1-(1-benzofuran-2-yl)-4-methoxy-N-methylbutan-1-amine.

Molecular Properties

Compound Name1-(1-benzofuran-2-yl)-4-methoxy-N-methylbutan-1-amine
PubChem CID115608859
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name1-(1-benzofuran-2-yl)-4-methoxy-N-methylbutan-1-amine
SMILESCNC(CCCOC)c1cc2ccccc2o1
InChIInChI=1S/C14H19NO2/c1-15-12(7-5-9-16-2)14-10-11-6-3-4-8-13(11)17-14/h3-4,6,8,10,12,15H,5,7,9H2,1-2H3
InChIKeyBPFPMDVCBAYXMD-UHFFFAOYSA-N
XLogP3.12
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 53.12
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

1-(1-benzofuran-2-yl)-N-ethyl-4-methoxybutan-1-amine
CID 113230976
1-(1-benzofuran-2-yl)-N-methyldecan-1-amine
CID 63418238
1-(1-benzofuran-2-yl)-N-methyl-4-methylsulfonylbutan-1-amine
CID 63192280
1-(1-benzofuran-2-yl)-N-methyl-3-pyridin-2-ylpropan-1-amine
CID 105184842
1-(1-benzofuran-2-yl)-2-ethylsulfanyl-N-methylethanamine
CID 64615500
1-(1-benzofuran-2-yl)-N-methyl-2-phenylethanamine
CID 61064024
1-(1-benzofuran-2-yl)-N-ethyl-N'-(3-methoxypropyl)-N'-methylethane-1,2-diamine
CID 62983956
1-(1-benzofuran-2-yl)-N,3-dimethylbut-3-en-1-amine
CID 79185588
1-(1-benzofuran-2-yl)-2-benzylsulfanyl-N-methylethanamine
CID 64621206
1-(1-benzofuran-2-yl)-N-ethylhexan-1-amine
CID 63418453
1-(1-benzofuran-2-yl)-2-(4-fluorophenyl)-N-methylethanamine
CID 61064663
1-(1-benzofuran-2-yl)-N'-(2-ethoxyethyl)-N'-ethyl-N-methylethane-1,2-diamine
CID 63695788

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzofuran-2-yl)-4-methoxy-N-methylbutan-1-amine?
The IUPAC name of 1-(1-benzofuran-2-yl)-4-methoxy-N-methylbutan-1-amine (CID 115608859) is 1-(1-benzofuran-2-yl)-4-methoxy-N-methylbutan-1-amine.
What is the SMILES notation for 1-(1-benzofuran-2-yl)-4-methoxy-N-methylbutan-1-amine?
The canonical SMILES for 1-(1-benzofuran-2-yl)-4-methoxy-N-methylbutan-1-amine is CNC(CCCOC)c1cc2ccccc2o1.
What is the InChIKey of 1-(1-benzofuran-2-yl)-4-methoxy-N-methylbutan-1-amine?
The InChIKey is BPFPMDVCBAYXMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-15-12(7-5-9-16-2)14-10-11-6-3-4-8-13(11)17-14/h3-4,6,8,10,12,15H,5,7,9H2,1-2H3.
What are the key properties of 1-(1-benzofuran-2-yl)-4-methoxy-N-methylbutan-1-amine?
1-(1-benzofuran-2-yl)-4-methoxy-N-methylbutan-1-amine has a molecular weight of 233.31 g/mol, XLogP of 3.12, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzofuran-2-yl)-4-methoxy-N-methylbutan-1-amine is sourced from PubChem (CID 115608859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).