N-[(5-ethyl-7-methoxy-1-benzofuran-3-yl)methyl]-2-methoxyethanamine

C15H21NO3 — CID 107669334

IUPACN-[(5-ethyl-7-methoxy-1-benzofuran-3-yl)methyl]-2-methoxyethanamine
SMILESCCc1cc(OC)c2occ(CNCCOC)c2c1
InChIInChI=1S/C15H21NO3/c1-4-11-7-13-12(9-16-5-6-17-2)10-19-15(13)14(8-11)18-3/h7-8,10,16H,4-6,9H2,1-3H3
InChIKeyROMHIIVSGHVVLB-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.74
Rot. Bonds7

About N-[(5-ethyl-7-methoxy-1-benzofuran-3-yl)methyl]-2-methoxyethanamine

N-[(5-ethyl-7-methoxy-1-benzofuran-3-yl)methyl]-2-methoxyethanamine (PubChem CID 107669334) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is N-[(5-ethyl-7-methoxy-1-benzofuran-3-yl)methyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[(5-ethyl-7-methoxy-1-benzofuran-3-yl)methyl]-2-methoxyethanamine
PubChem CID107669334
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC NameN-[(5-ethyl-7-methoxy-1-benzofuran-3-yl)methyl]-2-methoxyethanamine
SMILESCCc1cc(OC)c2occ(CNCCOC)c2c1
InChIInChI=1S/C15H21NO3/c1-4-11-7-13-12(9-16-5-6-17-2)10-19-15(13)14(8-11)18-3/h7-8,10,16H,4-6,9H2,1-3H3
InChIKeyROMHIIVSGHVVLB-UHFFFAOYSA-N
XLogP2.74
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 ≤ 52.74
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

2,6-dimethoxy-4-[(2-methoxyethylamino)methyl]phenol
CID 3614509
N-[(6-chloro-7-fluoro-1-benzofuran-3-yl)methyl]-2-methoxyethanamine
CID 116691026
N-[[3-chloro-5-methoxy-4-(2-methoxyethoxy)phenyl]methyl]-2-methoxyethanamine
CID 63062852
2-methoxy-N-[(5-methylfuran-3-yl)methyl]ethanamine
CID 114820503
N-[(3-tert-butyl-5-ethyl-7-methoxy-1-benzofuran-2-yl)methyl]ethanamine
CID 107669960
N-[(2,3-dimethoxyphenyl)methyl]-2-methoxyethanamine;hydrochloride
CID 17295657
4-(4-ethyl-2-methoxyphenoxy)-N-(2-methoxyethyl)butan-1-amine
CID 107668718
2-methoxy-N-[(3-methoxy-2-propoxyphenyl)methyl]ethanamine
CID 39356672
2-methoxy-N-[[4-methoxy-3-(methoxymethoxy)phenyl]methyl]ethanamine
CID 65364721
5-bromo-2-methoxy-4-[(2-methoxyethylamino)methyl]phenol
CID 115625537
5-ethyl-2-methoxy-N-(2-methoxyethyl)aniline
CID 98783313
N-[(3-bromo-5-ethoxy-4-methoxyphenyl)methyl]-2-methoxyethanamine;hydrochloride
CID 17295767

Frequently Asked Questions

What is the IUPAC name of N-[(5-ethyl-7-methoxy-1-benzofuran-3-yl)methyl]-2-methoxyethanamine?
The IUPAC name of N-[(5-ethyl-7-methoxy-1-benzofuran-3-yl)methyl]-2-methoxyethanamine (CID 107669334) is N-[(5-ethyl-7-methoxy-1-benzofuran-3-yl)methyl]-2-methoxyethanamine.
What is the SMILES notation for N-[(5-ethyl-7-methoxy-1-benzofuran-3-yl)methyl]-2-methoxyethanamine?
The canonical SMILES for N-[(5-ethyl-7-methoxy-1-benzofuran-3-yl)methyl]-2-methoxyethanamine is CCc1cc(OC)c2occ(CNCCOC)c2c1.
What is the InChIKey of N-[(5-ethyl-7-methoxy-1-benzofuran-3-yl)methyl]-2-methoxyethanamine?
The InChIKey is ROMHIIVSGHVVLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-4-11-7-13-12(9-16-5-6-17-2)10-19-15(13)14(8-11)18-3/h7-8,10,16H,4-6,9H2,1-3H3.
What are the key properties of N-[(5-ethyl-7-methoxy-1-benzofuran-3-yl)methyl]-2-methoxyethanamine?
N-[(5-ethyl-7-methoxy-1-benzofuran-3-yl)methyl]-2-methoxyethanamine has a molecular weight of 263.34 g/mol, XLogP of 2.74, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-ethyl-7-methoxy-1-benzofuran-3-yl)methyl]-2-methoxyethanamine is sourced from PubChem (CID 107669334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).