N-(2-methoxyethoxy)-2,2-dimethyl-3H-1-benzofuran-3-amine

C13H19NO3 — CID 106701361

IUPACN-(2-methoxyethoxy)-2,2-dimethyl-3H-1-benzofuran-3-amine
SMILESCOCCONC1c2ccccc2OC1(C)C
InChIInChI=1S/C13H19NO3/c1-13(2)12(14-16-9-8-15-3)10-6-4-5-7-11(10)17-13/h4-7,12,14H,8-9H2,1-3H3
InChIKeyGHLLHDCCTXCUKR-UHFFFAOYSA-N
MW237.30 g/mol
LogP2.07
Rot. Bonds5

About N-(2-methoxyethoxy)-2,2-dimethyl-3H-1-benzofuran-3-amine

N-(2-methoxyethoxy)-2,2-dimethyl-3H-1-benzofuran-3-amine (PubChem CID 106701361) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is N-(2-methoxyethoxy)-2,2-dimethyl-3H-1-benzofuran-3-amine.

Molecular Properties

Compound NameN-(2-methoxyethoxy)-2,2-dimethyl-3H-1-benzofuran-3-amine
PubChem CID106701361
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC NameN-(2-methoxyethoxy)-2,2-dimethyl-3H-1-benzofuran-3-amine
SMILESCOCCONC1c2ccccc2OC1(C)C
InChIInChI=1S/C13H19NO3/c1-13(2)12(14-16-9-8-15-3)10-6-4-5-7-11(10)17-13/h4-7,12,14H,8-9H2,1-3H3
InChIKeyGHLLHDCCTXCUKR-UHFFFAOYSA-N
XLogP2.07
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methoxy-2-methylpropyl)-2,2-dimethyl-3H-1-benzofuran-3-amine
CID 106701414
2-[(2,2-dimethyl-3H-1-benzofuran-3-yl)amino]-N-methylacetamide
CID 106700860
2,2-dimethyl-N-(4-methylpentan-2-yl)-3H-1-benzofuran-3-amine
CID 106700864
3-[(2,2-dimethyl-3H-1-benzofuran-3-yl)amino]-4-methoxybutan-1-ol
CID 106157338
N-(4-fluorophenyl)-2,2-dimethyl-3H-1-benzofuran-3-amine
CID 106700737
N-(4-chlorophenyl)-2,2-dimethyl-3H-1-benzofuran-3-amine
CID 106700731
methyl (2S)-2-[(2,2-dimethyl-3H-1-benzofuran-3-yl)amino]-3-methylbutanoate
CID 106700921
N-(2,2-dimethyl-3H-1-benzofuran-3-yl)-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 106701120
2-[(2,2-dimethyl-3H-1-benzofuran-3-yl)amino]-4-methylpentanoic acid
CID 106701074
N-(2-cyclohexyloxyethyl)-2,2-dimethyl-3H-1-benzofuran-3-amine
CID 106701163
2,2-dimethyl-N-(oxetan-3-yl)-3H-1-benzofuran-3-amine
CID 106701264
1-N-(2,2-dimethyl-3H-1-benzofuran-3-yl)-2-N,2-N,3-trimethylbutane-1,2-diamine
CID 106700808

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethoxy)-2,2-dimethyl-3H-1-benzofuran-3-amine?
The IUPAC name of N-(2-methoxyethoxy)-2,2-dimethyl-3H-1-benzofuran-3-amine (CID 106701361) is N-(2-methoxyethoxy)-2,2-dimethyl-3H-1-benzofuran-3-amine.
What is the SMILES notation for N-(2-methoxyethoxy)-2,2-dimethyl-3H-1-benzofuran-3-amine?
The canonical SMILES for N-(2-methoxyethoxy)-2,2-dimethyl-3H-1-benzofuran-3-amine is COCCONC1c2ccccc2OC1(C)C.
What is the InChIKey of N-(2-methoxyethoxy)-2,2-dimethyl-3H-1-benzofuran-3-amine?
The InChIKey is GHLLHDCCTXCUKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-13(2)12(14-16-9-8-15-3)10-6-4-5-7-11(10)17-13/h4-7,12,14H,8-9H2,1-3H3.
What are the key properties of N-(2-methoxyethoxy)-2,2-dimethyl-3H-1-benzofuran-3-amine?
N-(2-methoxyethoxy)-2,2-dimethyl-3H-1-benzofuran-3-amine has a molecular weight of 237.30 g/mol, XLogP of 2.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethoxy)-2,2-dimethyl-3H-1-benzofuran-3-amine is sourced from PubChem (CID 106701361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).