1-(5-ethyl-7-methoxy-1-benzofuran-2-yl)-N-propylpropan-1-amine

C17H25NO2 — CID 107669317

IUPAC1-(5-ethyl-7-methoxy-1-benzofuran-2-yl)-N-propylpropan-1-amine
SMILESCCCNC(CC)c1cc2cc(CC)cc(OC)c2o1
InChIInChI=1S/C17H25NO2/c1-5-8-18-14(7-3)15-11-13-9-12(6-2)10-16(19-4)17(13)20-15/h9-11,14,18H,5-8H2,1-4H3
InChIKeyQHHGSGCTDOTSEE-UHFFFAOYSA-N
MW275.39 g/mol
LogP4.45
Rot. Bonds7

About 1-(5-ethyl-7-methoxy-1-benzofuran-2-yl)-N-propylpropan-1-amine

1-(5-ethyl-7-methoxy-1-benzofuran-2-yl)-N-propylpropan-1-amine (PubChem CID 107669317) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is 1-(5-ethyl-7-methoxy-1-benzofuran-2-yl)-N-propylpropan-1-amine.

Molecular Properties

Compound Name1-(5-ethyl-7-methoxy-1-benzofuran-2-yl)-N-propylpropan-1-amine
PubChem CID107669317
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name1-(5-ethyl-7-methoxy-1-benzofuran-2-yl)-N-propylpropan-1-amine
SMILESCCCNC(CC)c1cc2cc(CC)cc(OC)c2o1
InChIInChI=1S/C17H25NO2/c1-5-8-18-14(7-3)15-11-13-9-12(6-2)10-16(19-4)17(13)20-15/h9-11,14,18H,5-8H2,1-4H3
InChIKeyQHHGSGCTDOTSEE-UHFFFAOYSA-N
XLogP4.45
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopropyl-1-(5-ethyl-7-methoxy-1-benzofuran-2-yl)-N-methylmethanamine
CID 107669295
1-(5,7-dibromo-1-benzofuran-2-yl)-N-propylpropan-1-amine
CID 65440043
1-(5-butyl-1-benzofuran-2-yl)-N-propylpropan-1-amine
CID 115493598
1-(6-chloro-7-fluoro-1-benzofuran-2-yl)-N-propylpropan-1-amine
CID 116690983
1-(2-methoxyphenyl)-N-propylpropan-1-amine
CID 43279174
1-(7-methyl-4-propan-2-yl-1-benzofuran-2-yl)-N-propylpropan-1-amine
CID 65440223
(1S)-1-(2,4-dimethoxyphenyl)-N-propylpropan-1-amine
CID 93079729
1-(4-methoxy-3-methylphenyl)-N-propylpropan-1-amine
CID 43498177
N-ethyl-1-(5-ethyl-1-benzofuran-2-yl)propan-1-amine
CID 65440784
1-(5-bromo-7-fluoro-1-benzofuran-2-yl)-N-propylbutan-1-amine
CID 65439832
1-(4-ethyl-2-methoxyphenoxy)-N-propylbutan-2-amine
CID 107664411
N-propyl-1-(2,4,5-trimethoxyphenyl)ethane-1,2-diamine
CID 55030359

Frequently Asked Questions

What is the IUPAC name of 1-(5-ethyl-7-methoxy-1-benzofuran-2-yl)-N-propylpropan-1-amine?
The IUPAC name of 1-(5-ethyl-7-methoxy-1-benzofuran-2-yl)-N-propylpropan-1-amine (CID 107669317) is 1-(5-ethyl-7-methoxy-1-benzofuran-2-yl)-N-propylpropan-1-amine.
What is the SMILES notation for 1-(5-ethyl-7-methoxy-1-benzofuran-2-yl)-N-propylpropan-1-amine?
The canonical SMILES for 1-(5-ethyl-7-methoxy-1-benzofuran-2-yl)-N-propylpropan-1-amine is CCCNC(CC)c1cc2cc(CC)cc(OC)c2o1.
What is the InChIKey of 1-(5-ethyl-7-methoxy-1-benzofuran-2-yl)-N-propylpropan-1-amine?
The InChIKey is QHHGSGCTDOTSEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-5-8-18-14(7-3)15-11-13-9-12(6-2)10-16(19-4)17(13)20-15/h9-11,14,18H,5-8H2,1-4H3.
What are the key properties of 1-(5-ethyl-7-methoxy-1-benzofuran-2-yl)-N-propylpropan-1-amine?
1-(5-ethyl-7-methoxy-1-benzofuran-2-yl)-N-propylpropan-1-amine has a molecular weight of 275.39 g/mol, XLogP of 4.45, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethyl-7-methoxy-1-benzofuran-2-yl)-N-propylpropan-1-amine is sourced from PubChem (CID 107669317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).