1-[6-[2-(4-ethoxyphenyl)ethyl]-1-benzofuran-2-yl]-N-methylethanamine

C21H25NO2 — CID 143982625

IUPAC1-[6-[2-(4-ethoxyphenyl)ethyl]-1-benzofuran-2-yl]-N-methylethanamine
SMILESCCOc1ccc(CCc2ccc3cc(C(C)NC)oc3c2)cc1
InChIInChI=1S/C21H25NO2/c1-4-23-19-11-8-16(9-12-19)5-6-17-7-10-18-14-20(15(2)22-3)24-21(18)13-17/h7-15,22H,4-6H2,1-3H3
InChIKeyDXBOFHYNLWXXIF-UHFFFAOYSA-N
MW323.44 g/mol
LogP4.90
Rot. Bonds7

About 1-[6-[2-(4-ethoxyphenyl)ethyl]-1-benzofuran-2-yl]-N-methylethanamine

1-[6-[2-(4-ethoxyphenyl)ethyl]-1-benzofuran-2-yl]-N-methylethanamine (PubChem CID 143982625) has the molecular formula C21H25NO2 and a molecular weight of 323.44 g/mol. Its IUPAC name is 1-[6-[2-(4-ethoxyphenyl)ethyl]-1-benzofuran-2-yl]-N-methylethanamine.

Molecular Properties

Compound Name1-[6-[2-(4-ethoxyphenyl)ethyl]-1-benzofuran-2-yl]-N-methylethanamine
PubChem CID143982625
Molecular FormulaC21H25NO2
Molecular Weight323.44 g/mol
Exact Mass323.19
IUPAC Name1-[6-[2-(4-ethoxyphenyl)ethyl]-1-benzofuran-2-yl]-N-methylethanamine
SMILESCCOc1ccc(CCc2ccc3cc(C(C)NC)oc3c2)cc1
InChIInChI=1S/C21H25NO2/c1-4-23-19-11-8-16(9-12-19)5-6-17-7-10-18-14-20(15(2)22-3)24-21(18)13-17/h7-15,22H,4-6H2,1-3H3
InChIKeyDXBOFHYNLWXXIF-UHFFFAOYSA-N
XLogP4.90
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[6-[2-(4-propoxyphenyl)ethyl]-1-benzofuran-2-yl]ethyl]acetamide
CID 58047216
ethyl 3-oxo-3-[1-[6-[2-(4-propoxyphenyl)ethyl]-1-benzofuran-2-yl]ethylamino]propanoate
CID 58047317
N-[1-[6-[(4-ethoxyphenyl)methoxy]-1-benzofuran-2-yl]ethyl]acetamide
CID 58047353
(2R)-4-(4-ethoxyphenyl)-N-methylbutan-2-amine
CID 93007407
N-[1-[6-[2-(4-hydroxyphenyl)ethyl]-1-benzofuran-2-yl]ethyl]acetamide
CID 58047041
N-[1-(1-benzofuran-2-yl)ethyl]-2-[(4-ethoxyphenyl)methyl-methylamino]acetamide
CID 18087446
5-[2-[2-(1-azidoethyl)-1-benzofuran-6-yl]ethyl]-2-ethoxypyridine
CID 58047564
tert-butyl-[1-[6-[(4-ethoxyphenoxy)methyl]-1-benzofuran-2-yl]ethyl]carbamic acid
CID 67015833
2-(1-azidoethyl)-6-[2-[4-(trifluoromethoxy)phenyl]ethyl]-1-benzofuran
CID 58047062
1-N-[2-(4-ethoxyphenyl)ethyl]propane-1,2-diamine
CID 115196776
1-(1-benzofuran-2-yl)-N-[2-(4-fluorophenyl)ethyl]ethanamine
CID 43093690
N-[2-(4-ethoxyphenyl)ethyl]ethanesulfonamide
CID 110788129

Frequently Asked Questions

What is the IUPAC name of 1-[6-[2-(4-ethoxyphenyl)ethyl]-1-benzofuran-2-yl]-N-methylethanamine?
The IUPAC name of 1-[6-[2-(4-ethoxyphenyl)ethyl]-1-benzofuran-2-yl]-N-methylethanamine (CID 143982625) is 1-[6-[2-(4-ethoxyphenyl)ethyl]-1-benzofuran-2-yl]-N-methylethanamine.
What is the SMILES notation for 1-[6-[2-(4-ethoxyphenyl)ethyl]-1-benzofuran-2-yl]-N-methylethanamine?
The canonical SMILES for 1-[6-[2-(4-ethoxyphenyl)ethyl]-1-benzofuran-2-yl]-N-methylethanamine is CCOc1ccc(CCc2ccc3cc(C(C)NC)oc3c2)cc1.
What is the InChIKey of 1-[6-[2-(4-ethoxyphenyl)ethyl]-1-benzofuran-2-yl]-N-methylethanamine?
The InChIKey is DXBOFHYNLWXXIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO2/c1-4-23-19-11-8-16(9-12-19)5-6-17-7-10-18-14-20(15(2)22-3)24-21(18)13-17/h7-15,22H,4-6H2,1-3H3.
What are the key properties of 1-[6-[2-(4-ethoxyphenyl)ethyl]-1-benzofuran-2-yl]-N-methylethanamine?
1-[6-[2-(4-ethoxyphenyl)ethyl]-1-benzofuran-2-yl]-N-methylethanamine has a molecular weight of 323.44 g/mol, XLogP of 4.90, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[2-(4-ethoxyphenyl)ethyl]-1-benzofuran-2-yl]-N-methylethanamine is sourced from PubChem (CID 143982625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).