N-methyl-1-[2-[2-(2-methylpropoxy)ethoxymethyl]-1-benzofuran-3-yl]methanamine

C17H25NO3 — CID 106449873

IUPACN-methyl-1-[2-[2-(2-methylpropoxy)ethoxymethyl]-1-benzofuran-3-yl]methanamine
SMILESCNCc1c(COCCOCC(C)C)oc2ccccc12
InChIInChI=1S/C17H25NO3/c1-13(2)11-19-8-9-20-12-17-15(10-18-3)14-6-4-5-7-16(14)21-17/h4-7,13,18H,8-12H2,1-3H3
InChIKeyGDVNNVKBZJNSRW-UHFFFAOYSA-N
MW291.39 g/mol
LogP3.34
Rot. Bonds9

About N-methyl-1-[2-[2-(2-methylpropoxy)ethoxymethyl]-1-benzofuran-3-yl]methanamine

N-methyl-1-[2-[2-(2-methylpropoxy)ethoxymethyl]-1-benzofuran-3-yl]methanamine (PubChem CID 106449873) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is N-methyl-1-[2-[2-(2-methylpropoxy)ethoxymethyl]-1-benzofuran-3-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[2-[2-(2-methylpropoxy)ethoxymethyl]-1-benzofuran-3-yl]methanamine
PubChem CID106449873
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC NameN-methyl-1-[2-[2-(2-methylpropoxy)ethoxymethyl]-1-benzofuran-3-yl]methanamine
SMILESCNCc1c(COCCOCC(C)C)oc2ccccc12
InChIInChI=1S/C17H25NO3/c1-13(2)11-19-8-9-20-12-17-15(10-18-3)14-6-4-5-7-16(14)21-17/h4-7,13,18H,8-12H2,1-3H3
InChIKeyGDVNNVKBZJNSRW-UHFFFAOYSA-N
XLogP3.34
TPSA43.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 53.34
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

1-[2-(3,3-dimethylbutoxymethyl)-1-benzofuran-3-yl]-N-methylmethanamine
CID 66227085
N-methyl-1-[3-(2-propan-2-yloxyethoxymethyl)-1-benzofuran-2-yl]methanamine
CID 62457094
1-[2-(cyclopentyloxymethyl)-1-benzofuran-3-yl]-N-methylmethanamine
CID 62444638
N-[[2-(2-propoxyethoxymethyl)-1-benzofuran-3-yl]methyl]ethanamine
CID 63685145
N-[[2-(3-methoxypropoxymethyl)-1-benzofuran-3-yl]methyl]propan-2-amine
CID 62441095
N-[[2-[2-(dimethylamino)ethoxymethyl]-1-benzofuran-3-yl]methyl]propan-2-amine
CID 62458588
1-[2-(cycloheptyloxymethyl)-1-benzofuran-3-yl]-N-methylmethanamine
CID 62459494
N-methyl-1-[2-(oxan-4-ylmethoxymethyl)-1-benzofuran-3-yl]methanamine
CID 62470710
N-[[3-(2-methylpropoxymethyl)-1-benzofuran-2-yl]methyl]cyclopropanamine
CID 62445692
N-methyl-1-[2-[(4-methylcyclohexyl)oxymethyl]-1-benzofuran-3-yl]methanamine
CID 62443561
2-methyl-N-[[3-(methylaminomethyl)-1-benzofuran-2-yl]methyl]-N-propan-2-ylpropan-1-amine
CID 62448586
N-[[2-(butoxymethyl)-1-benzofuran-3-yl]methyl]cyclopropanamine
CID 62450257

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[2-[2-(2-methylpropoxy)ethoxymethyl]-1-benzofuran-3-yl]methanamine?
The IUPAC name of N-methyl-1-[2-[2-(2-methylpropoxy)ethoxymethyl]-1-benzofuran-3-yl]methanamine (CID 106449873) is N-methyl-1-[2-[2-(2-methylpropoxy)ethoxymethyl]-1-benzofuran-3-yl]methanamine.
What is the SMILES notation for N-methyl-1-[2-[2-(2-methylpropoxy)ethoxymethyl]-1-benzofuran-3-yl]methanamine?
The canonical SMILES for N-methyl-1-[2-[2-(2-methylpropoxy)ethoxymethyl]-1-benzofuran-3-yl]methanamine is CNCc1c(COCCOCC(C)C)oc2ccccc12.
What is the InChIKey of N-methyl-1-[2-[2-(2-methylpropoxy)ethoxymethyl]-1-benzofuran-3-yl]methanamine?
The InChIKey is GDVNNVKBZJNSRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO3/c1-13(2)11-19-8-9-20-12-17-15(10-18-3)14-6-4-5-7-16(14)21-17/h4-7,13,18H,8-12H2,1-3H3.
What are the key properties of N-methyl-1-[2-[2-(2-methylpropoxy)ethoxymethyl]-1-benzofuran-3-yl]methanamine?
N-methyl-1-[2-[2-(2-methylpropoxy)ethoxymethyl]-1-benzofuran-3-yl]methanamine has a molecular weight of 291.39 g/mol, XLogP of 3.34, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[2-[2-(2-methylpropoxy)ethoxymethyl]-1-benzofuran-3-yl]methanamine is sourced from PubChem (CID 106449873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).