N-[[7-methoxy-3-(methoxymethyl)-1-benzofuran-2-yl]methyl]propan-1-amine

C15H21NO3 — CID 114375084

IUPACN-[[7-methoxy-3-(methoxymethyl)-1-benzofuran-2-yl]methyl]propan-1-amine
SMILESCCCNCc1oc2c(OC)cccc2c1COC
InChIInChI=1S/C15H21NO3/c1-4-8-16-9-14-12(10-17-2)11-6-5-7-13(18-3)15(11)19-14/h5-7,16H,4,8-10H2,1-3H3
InChIKeyGRWGVAQBJSMJHL-UHFFFAOYSA-N
MW263.34 g/mol
LogP3.09
Rot. Bonds7

About N-[[7-methoxy-3-(methoxymethyl)-1-benzofuran-2-yl]methyl]propan-1-amine

N-[[7-methoxy-3-(methoxymethyl)-1-benzofuran-2-yl]methyl]propan-1-amine (PubChem CID 114375084) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is N-[[7-methoxy-3-(methoxymethyl)-1-benzofuran-2-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[7-methoxy-3-(methoxymethyl)-1-benzofuran-2-yl]methyl]propan-1-amine
PubChem CID114375084
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC NameN-[[7-methoxy-3-(methoxymethyl)-1-benzofuran-2-yl]methyl]propan-1-amine
SMILESCCCNCc1oc2c(OC)cccc2c1COC
InChIInChI=1S/C15H21NO3/c1-4-8-16-9-14-12(10-17-2)11-6-5-7-13(18-3)15(11)19-14/h5-7,16H,4,8-10H2,1-3H3
InChIKeyGRWGVAQBJSMJHL-UHFFFAOYSA-N
XLogP3.09
TPSA43.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[[7-methoxy-3-(methoxymethyl)-1-benzofuran-2-yl]methyl]ethanamine
CID 114375085
N-[[7-ethoxy-3-(methoxymethyl)-1-benzofuran-2-yl]methyl]ethanamine
CID 114376491
N-[(3,7-diethyl-1-benzofuran-2-yl)methyl]propan-1-amine
CID 104843086
N-[(3-ethyl-7-methoxy-1-benzofuran-2-yl)methyl]-2-methylpropan-2-amine
CID 104842810
1-[7-methoxy-3-(2-methylpropyl)-1-benzofuran-2-yl]-N-methylmethanamine
CID 114375073
[7-ethoxy-3-(methoxymethyl)-1-benzofuran-2-yl]methanamine
CID 114376467
N-[(3-ethyl-7-propan-2-yl-1-benzofuran-2-yl)methyl]propan-1-amine
CID 104843012
N-[(3-ethyl-7-propoxy-1-benzofuran-2-yl)methyl]ethanamine
CID 104843048
N-[(3-propan-2-yl-7-propoxy-1-benzofuran-2-yl)methyl]propan-1-amine
CID 114376818
N-[(2,3-dimethoxyphenyl)methyl]propan-1-amine
CID 4717511
[7-methoxy-3-(2-methylpropyl)-1-benzofuran-2-yl]methanamine
CID 114375077
N-[(4,7-dibromo-3-ethyl-5-methoxy-1-benzofuran-2-yl)methyl]propan-1-amine
CID 104843203

Frequently Asked Questions

What is the IUPAC name of N-[[7-methoxy-3-(methoxymethyl)-1-benzofuran-2-yl]methyl]propan-1-amine?
The IUPAC name of N-[[7-methoxy-3-(methoxymethyl)-1-benzofuran-2-yl]methyl]propan-1-amine (CID 114375084) is N-[[7-methoxy-3-(methoxymethyl)-1-benzofuran-2-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[7-methoxy-3-(methoxymethyl)-1-benzofuran-2-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[7-methoxy-3-(methoxymethyl)-1-benzofuran-2-yl]methyl]propan-1-amine is CCCNCc1oc2c(OC)cccc2c1COC.
What is the InChIKey of N-[[7-methoxy-3-(methoxymethyl)-1-benzofuran-2-yl]methyl]propan-1-amine?
The InChIKey is GRWGVAQBJSMJHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-4-8-16-9-14-12(10-17-2)11-6-5-7-13(18-3)15(11)19-14/h5-7,16H,4,8-10H2,1-3H3.
What are the key properties of N-[[7-methoxy-3-(methoxymethyl)-1-benzofuran-2-yl]methyl]propan-1-amine?
N-[[7-methoxy-3-(methoxymethyl)-1-benzofuran-2-yl]methyl]propan-1-amine has a molecular weight of 263.34 g/mol, XLogP of 3.09, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[7-methoxy-3-(methoxymethyl)-1-benzofuran-2-yl]methyl]propan-1-amine is sourced from PubChem (CID 114375084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).