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

C13H17NO2 — CID 65440347

IUPACN-[(7-ethoxy-1-benzofuran-2-yl)methyl]ethanamine
SMILESCCNCc1cc2cccc(OCC)c2o1
InChIInChI=1S/C13H17NO2/c1-3-14-9-11-8-10-6-5-7-12(15-4-2)13(10)16-11/h5-8,14H,3-4,9H2,1-2H3
InChIKeyYHKUULZUSHUDPK-UHFFFAOYSA-N
MW219.28 g/mol
LogP2.94
Rot. Bonds5

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

N-[(7-ethoxy-1-benzofuran-2-yl)methyl]ethanamine (PubChem CID 65440347) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is N-[(7-ethoxy-1-benzofuran-2-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(7-ethoxy-1-benzofuran-2-yl)methyl]ethanamine
PubChem CID65440347
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC NameN-[(7-ethoxy-1-benzofuran-2-yl)methyl]ethanamine
SMILESCCNCc1cc2cccc(OCC)c2o1
InChIInChI=1S/C13H17NO2/c1-3-14-9-11-8-10-6-5-7-12(15-4-2)13(10)16-11/h5-8,14H,3-4,9H2,1-2H3
InChIKeyYHKUULZUSHUDPK-UHFFFAOYSA-N
XLogP2.94
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(7-ethoxy-1-benzofuran-2-yl)propan-2-ol
CID 82264246
methyl 2-[(7-methoxy-1-benzofuran-2-yl)methylamino]acetate
CID 43756848
1-cyclopentyl-N-[(7-methoxy-1-benzofuran-2-yl)methyl]methanamine
CID 43432532
N'-[(7-methoxy-1-benzofuran-2-yl)methyl]ethane-1,2-diamine
CID 19886076
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
1-[1-(7-ethoxy-1-benzofuran-2-yl)ethylamino]ethanol
CID 175788600
1-[(7-methoxy-1-benzofuran-2-yl)methylamino]-3-methylbutan-2-ol
CID 115630665
N-methoxy-1-(7-methoxy-1-benzofuran-2-yl)methanamine
CID 82707164
N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-(7-methoxy-1-benzofuran-2-yl)methanamine
CID 103701990
2-butoxy-N-[(7-methoxy-1-benzofuran-2-yl)methyl]ethanamine
CID 61169329
4-[(7-methoxy-1-benzofuran-2-yl)methylamino]butanoic acid
CID 60782962

Frequently Asked Questions

What is the IUPAC name of N-[(7-ethoxy-1-benzofuran-2-yl)methyl]ethanamine?
The IUPAC name of N-[(7-ethoxy-1-benzofuran-2-yl)methyl]ethanamine (CID 65440347) is N-[(7-ethoxy-1-benzofuran-2-yl)methyl]ethanamine.
What is the SMILES notation for N-[(7-ethoxy-1-benzofuran-2-yl)methyl]ethanamine?
The canonical SMILES for N-[(7-ethoxy-1-benzofuran-2-yl)methyl]ethanamine is CCNCc1cc2cccc(OCC)c2o1.
What is the InChIKey of N-[(7-ethoxy-1-benzofuran-2-yl)methyl]ethanamine?
The InChIKey is YHKUULZUSHUDPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-3-14-9-11-8-10-6-5-7-12(15-4-2)13(10)16-11/h5-8,14H,3-4,9H2,1-2H3.
What are the key properties of N-[(7-ethoxy-1-benzofuran-2-yl)methyl]ethanamine?
N-[(7-ethoxy-1-benzofuran-2-yl)methyl]ethanamine has a molecular weight of 219.28 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(7-ethoxy-1-benzofuran-2-yl)methyl]ethanamine is sourced from PubChem (CID 65440347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).