2-butoxy-N-[(7-methoxy-1-benzofuran-2-yl)methyl]ethanamine

C16H23NO3 — CID 61169329

IUPAC2-butoxy-N-[(7-methoxy-1-benzofuran-2-yl)methyl]ethanamine
SMILESCCCCOCCNCc1cc2cccc(OC)c2o1
InChIInChI=1S/C16H23NO3/c1-3-4-9-19-10-8-17-12-14-11-13-6-5-7-15(18-2)16(13)20-14/h5-7,11,17H,3-4,8-10,12H2,1-2H3
InChIKeySOCUTAULTOAOEG-UHFFFAOYSA-N
MW277.36 g/mol
LogP3.35
Rot. Bonds9

About 2-butoxy-N-[(7-methoxy-1-benzofuran-2-yl)methyl]ethanamine

2-butoxy-N-[(7-methoxy-1-benzofuran-2-yl)methyl]ethanamine (PubChem CID 61169329) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is 2-butoxy-N-[(7-methoxy-1-benzofuran-2-yl)methyl]ethanamine.

Molecular Properties

Compound Name2-butoxy-N-[(7-methoxy-1-benzofuran-2-yl)methyl]ethanamine
PubChem CID61169329
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Name2-butoxy-N-[(7-methoxy-1-benzofuran-2-yl)methyl]ethanamine
SMILESCCCCOCCNCc1cc2cccc(OC)c2o1
InChIInChI=1S/C16H23NO3/c1-3-4-9-19-10-8-17-12-14-11-13-6-5-7-15(18-2)16(13)20-14/h5-7,11,17H,3-4,8-10,12H2,1-2H3
InChIKeySOCUTAULTOAOEG-UHFFFAOYSA-N
XLogP3.35
TPSA43.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 53.35
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-1-benzofuran-2-yl)methyl]ethane-1,2-diamine
CID 19886076
N-methoxy-1-(7-methoxy-1-benzofuran-2-yl)methanamine
CID 82707164
4-[(7-methoxy-1-benzofuran-2-yl)methylamino]butanoic acid
CID 60782962
1-cyclopentyl-N-[(7-methoxy-1-benzofuran-2-yl)methyl]methanamine
CID 43432532
N-[2-[(7-methoxy-1-benzofuran-2-yl)methylamino]ethyl]methanesulfonamide
CID 43771801
N-[2-(7-methoxy-1-benzofuran-2-yl)ethyl]propan-1-amine
CID 70555736
3-[(7-methoxy-1-benzofuran-2-yl)methylamino]-N,N-dimethylpropanamide
CID 60925397
1-[(7-methoxy-1-benzofuran-2-yl)methylamino]pentan-2-ol
CID 115623289
2-(3-fluorophenyl)-N-[(7-methoxy-1-benzofuran-2-yl)methyl]ethanamine
CID 55410255
methyl 2-[(7-methoxy-1-benzofuran-2-yl)methylamino]acetate
CID 43756848
2-(7-methoxy-1-benzofuran-2-yl)-N-methylethanamine
CID 70557286
4-methoxy-N-[(7-methoxy-1-benzofuran-2-yl)methyl]aniline
CID 43765976

Frequently Asked Questions

What is the IUPAC name of 2-butoxy-N-[(7-methoxy-1-benzofuran-2-yl)methyl]ethanamine?
The IUPAC name of 2-butoxy-N-[(7-methoxy-1-benzofuran-2-yl)methyl]ethanamine (CID 61169329) is 2-butoxy-N-[(7-methoxy-1-benzofuran-2-yl)methyl]ethanamine.
What is the SMILES notation for 2-butoxy-N-[(7-methoxy-1-benzofuran-2-yl)methyl]ethanamine?
The canonical SMILES for 2-butoxy-N-[(7-methoxy-1-benzofuran-2-yl)methyl]ethanamine is CCCCOCCNCc1cc2cccc(OC)c2o1.
What is the InChIKey of 2-butoxy-N-[(7-methoxy-1-benzofuran-2-yl)methyl]ethanamine?
The InChIKey is SOCUTAULTOAOEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-3-4-9-19-10-8-17-12-14-11-13-6-5-7-15(18-2)16(13)20-14/h5-7,11,17H,3-4,8-10,12H2,1-2H3.
What are the key properties of 2-butoxy-N-[(7-methoxy-1-benzofuran-2-yl)methyl]ethanamine?
2-butoxy-N-[(7-methoxy-1-benzofuran-2-yl)methyl]ethanamine has a molecular weight of 277.36 g/mol, XLogP of 3.35, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butoxy-N-[(7-methoxy-1-benzofuran-2-yl)methyl]ethanamine is sourced from PubChem (CID 61169329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).