1-(5-chloro-1-benzofuran-2-yl)-N-ethyl-4-methoxypentan-1-amine

C16H22ClNO2 — CID 105185660

IUPAC1-(5-chloro-1-benzofuran-2-yl)-N-ethyl-4-methoxypentan-1-amine
SMILESCCNC(CCC(C)OC)c1cc2cc(Cl)ccc2o1
InChIInChI=1S/C16H22ClNO2/c1-4-18-14(7-5-11(2)19-3)16-10-12-9-13(17)6-8-15(12)20-16/h6,8-11,14,18H,4-5,7H2,1-3H3
InChIKeyIITRNIMAVDULKT-UHFFFAOYSA-N
MW295.81 g/mol
LogP4.55
Rot. Bonds7

About 1-(5-chloro-1-benzofuran-2-yl)-N-ethyl-4-methoxypentan-1-amine

1-(5-chloro-1-benzofuran-2-yl)-N-ethyl-4-methoxypentan-1-amine (PubChem CID 105185660) has the molecular formula C16H22ClNO2 and a molecular weight of 295.81 g/mol. Its IUPAC name is 1-(5-chloro-1-benzofuran-2-yl)-N-ethyl-4-methoxypentan-1-amine.

Molecular Properties

Compound Name1-(5-chloro-1-benzofuran-2-yl)-N-ethyl-4-methoxypentan-1-amine
PubChem CID105185660
Molecular FormulaC16H22ClNO2
Molecular Weight295.81 g/mol
Exact Mass295.13
IUPAC Name1-(5-chloro-1-benzofuran-2-yl)-N-ethyl-4-methoxypentan-1-amine
SMILESCCNC(CCC(C)OC)c1cc2cc(Cl)ccc2o1
InChIInChI=1S/C16H22ClNO2/c1-4-18-14(7-5-11(2)19-3)16-10-12-9-13(17)6-8-15(12)20-16/h6,8-11,14,18H,4-5,7H2,1-3H3
InChIKeyIITRNIMAVDULKT-UHFFFAOYSA-N
XLogP4.55
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.81
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-chloro-1-benzofuran-2-yl)-4-methoxypentan-1-ol
CID 105129366
1-(5-chloro-1-benzofuran-2-yl)-N-ethyl-2-methylsulfanylethanamine
CID 114728420
1-(5-chloro-1-benzofuran-2-yl)-N-ethyl-2-methoxy-3,3-dimethylbutan-1-amine
CID 114731265
[1-(5-fluoro-1-benzofuran-2-yl)-4-methoxypentyl]hydrazine
CID 105338684
1-(5-chloro-1-benzofuran-2-yl)butylhydrazine
CID 105202028
1-(5-chloro-1-benzofuran-2-yl)-3-methylsulfanyl-N-propylpropan-1-amine
CID 105185639
1-(5-chloro-1-benzofuran-2-yl)-N,2-diethylhexan-1-amine
CID 105045797
1-(5-chloro-1-benzofuran-2-yl)-3-methyl-N-propylpentan-1-amine
CID 105045883
[1-(5-chloro-1-benzofuran-2-yl)-2-methylpentyl]hydrazine
CID 105338554
N-[(5-chloro-1-benzofuran-2-yl)-(2-methylpyrazol-3-yl)methyl]ethanamine
CID 105185621
5-chloro-2-(1-chlorobutyl)-1-benzofuran
CID 130480572
3-(5-chloro-1-benzofuran-2-yl)-N,2-dimethylbutan-1-amine
CID 114735605

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-1-benzofuran-2-yl)-N-ethyl-4-methoxypentan-1-amine?
The IUPAC name of 1-(5-chloro-1-benzofuran-2-yl)-N-ethyl-4-methoxypentan-1-amine (CID 105185660) is 1-(5-chloro-1-benzofuran-2-yl)-N-ethyl-4-methoxypentan-1-amine.
What is the SMILES notation for 1-(5-chloro-1-benzofuran-2-yl)-N-ethyl-4-methoxypentan-1-amine?
The canonical SMILES for 1-(5-chloro-1-benzofuran-2-yl)-N-ethyl-4-methoxypentan-1-amine is CCNC(CCC(C)OC)c1cc2cc(Cl)ccc2o1.
What is the InChIKey of 1-(5-chloro-1-benzofuran-2-yl)-N-ethyl-4-methoxypentan-1-amine?
The InChIKey is IITRNIMAVDULKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClNO2/c1-4-18-14(7-5-11(2)19-3)16-10-12-9-13(17)6-8-15(12)20-16/h6,8-11,14,18H,4-5,7H2,1-3H3.
What are the key properties of 1-(5-chloro-1-benzofuran-2-yl)-N-ethyl-4-methoxypentan-1-amine?
1-(5-chloro-1-benzofuran-2-yl)-N-ethyl-4-methoxypentan-1-amine has a molecular weight of 295.81 g/mol, XLogP of 4.55, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-1-benzofuran-2-yl)-N-ethyl-4-methoxypentan-1-amine is sourced from PubChem (CID 105185660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).