1-(1-benzofuran-3-yl)-N-ethyl-4-methoxy-4-methylpentan-1-amine

C17H25NO2 — CID 103031752

IUPAC1-(1-benzofuran-3-yl)-N-ethyl-4-methoxy-4-methylpentan-1-amine
SMILESCCNC(CCC(C)(C)OC)c1coc2ccccc12
InChIInChI=1S/C17H25NO2/c1-5-18-15(10-11-17(2,3)19-4)14-12-20-16-9-7-6-8-13(14)16/h6-9,12,15,18H,5,10-11H2,1-4H3
InChIKeyDBIMEJYRCHOLLB-UHFFFAOYSA-N
MW275.39 g/mol
LogP4.29
Rot. Bonds7

About 1-(1-benzofuran-3-yl)-N-ethyl-4-methoxy-4-methylpentan-1-amine

1-(1-benzofuran-3-yl)-N-ethyl-4-methoxy-4-methylpentan-1-amine (PubChem CID 103031752) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is 1-(1-benzofuran-3-yl)-N-ethyl-4-methoxy-4-methylpentan-1-amine.

Molecular Properties

Compound Name1-(1-benzofuran-3-yl)-N-ethyl-4-methoxy-4-methylpentan-1-amine
PubChem CID103031752
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name1-(1-benzofuran-3-yl)-N-ethyl-4-methoxy-4-methylpentan-1-amine
SMILESCCNC(CCC(C)(C)OC)c1coc2ccccc12
InChIInChI=1S/C17H25NO2/c1-5-18-15(10-11-17(2,3)19-4)14-12-20-16-9-7-6-8-13(14)16/h6-9,12,15,18H,5,10-11H2,1-4H3
InChIKeyDBIMEJYRCHOLLB-UHFFFAOYSA-N
XLogP4.29
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 ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,6-dimethoxyphenyl)-N-ethyl-4-methoxy-4-methylpentan-1-amine
CID 103032151
1-(5-bromofuran-2-yl)-N-ethyl-4-methoxy-4-methylpentan-1-amine
CID 103031302
1-(3-chloro-4-pyridinyl)-N-ethyl-4-methoxy-4-methylpentan-1-amine
CID 103031354
1-(2-bromo-4-chlorophenyl)-N-ethyl-4-methoxy-4-methylpentan-1-amine
CID 107995834
1-(2-chlorophenyl)-4-methoxy-4-methyl-N-propylpentan-1-amine
CID 103031576
1-(3,5-dimethylphenyl)-N-ethyl-4-methoxy-4-methylpentan-1-amine
CID 103031318
N-ethyl-1-(4-ethylsulfanylphenyl)-4-methoxy-4-methylpentan-1-amine
CID 106849061
4-(1-benzofuran-3-yl)-N-ethylbutan-2-amine
CID 80703561
N-ethyl-3-methoxy-1-(2-methoxyphenyl)-3-methylbutan-1-amine
CID 103024885
1-(3-bromo-4-methylphenyl)-N-ethyl-4-methoxy-4-methylpentan-1-amine
CID 103031551
N-ethyl-4,4-dimethyl-1-(2-methylfuran-3-yl)pentan-1-amine
CID 104790089
N-ethyl-4,4,4-trifluoro-1-(2-methoxyphenyl)butan-1-amine
CID 64567616

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzofuran-3-yl)-N-ethyl-4-methoxy-4-methylpentan-1-amine?
The IUPAC name of 1-(1-benzofuran-3-yl)-N-ethyl-4-methoxy-4-methylpentan-1-amine (CID 103031752) is 1-(1-benzofuran-3-yl)-N-ethyl-4-methoxy-4-methylpentan-1-amine.
What is the SMILES notation for 1-(1-benzofuran-3-yl)-N-ethyl-4-methoxy-4-methylpentan-1-amine?
The canonical SMILES for 1-(1-benzofuran-3-yl)-N-ethyl-4-methoxy-4-methylpentan-1-amine is CCNC(CCC(C)(C)OC)c1coc2ccccc12.
What is the InChIKey of 1-(1-benzofuran-3-yl)-N-ethyl-4-methoxy-4-methylpentan-1-amine?
The InChIKey is DBIMEJYRCHOLLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-5-18-15(10-11-17(2,3)19-4)14-12-20-16-9-7-6-8-13(14)16/h6-9,12,15,18H,5,10-11H2,1-4H3.
What are the key properties of 1-(1-benzofuran-3-yl)-N-ethyl-4-methoxy-4-methylpentan-1-amine?
1-(1-benzofuran-3-yl)-N-ethyl-4-methoxy-4-methylpentan-1-amine has a molecular weight of 275.39 g/mol, XLogP of 4.29, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzofuran-3-yl)-N-ethyl-4-methoxy-4-methylpentan-1-amine is sourced from PubChem (CID 103031752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).