1-(5-chloro-1-benzofuran-2-yl)-N-ethyl-2-methoxy-3,3-dimethylbutan-1-amine

C17H24ClNO2 — CID 114731265

IUPAC1-(5-chloro-1-benzofuran-2-yl)-N-ethyl-2-methoxy-3,3-dimethylbutan-1-amine
SMILESCCNC(c1cc2cc(Cl)ccc2o1)C(OC)C(C)(C)C
InChIInChI=1S/C17H24ClNO2/c1-6-19-15(16(20-5)17(2,3)4)14-10-11-9-12(18)7-8-13(11)21-14/h7-10,15-16,19H,6H2,1-5H3
InChIKeyIBOQONBOKMAAPP-UHFFFAOYSA-N
MW309.84 g/mol
LogP4.80
Rot. Bonds5

About 1-(5-chloro-1-benzofuran-2-yl)-N-ethyl-2-methoxy-3,3-dimethylbutan-1-amine

1-(5-chloro-1-benzofuran-2-yl)-N-ethyl-2-methoxy-3,3-dimethylbutan-1-amine (PubChem CID 114731265) has the molecular formula C17H24ClNO2 and a molecular weight of 309.84 g/mol. Its IUPAC name is 1-(5-chloro-1-benzofuran-2-yl)-N-ethyl-2-methoxy-3,3-dimethylbutan-1-amine.

Molecular Properties

Compound Name1-(5-chloro-1-benzofuran-2-yl)-N-ethyl-2-methoxy-3,3-dimethylbutan-1-amine
PubChem CID114731265
Molecular FormulaC17H24ClNO2
Molecular Weight309.84 g/mol
Exact Mass309.15
IUPAC Name1-(5-chloro-1-benzofuran-2-yl)-N-ethyl-2-methoxy-3,3-dimethylbutan-1-amine
SMILESCCNC(c1cc2cc(Cl)ccc2o1)C(OC)C(C)(C)C
InChIInChI=1S/C17H24ClNO2/c1-6-19-15(16(20-5)17(2,3)4)14-10-11-9-12(18)7-8-13(11)21-14/h7-10,15-16,19H,6H2,1-5H3
InChIKeyIBOQONBOKMAAPP-UHFFFAOYSA-N
XLogP4.80
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.84
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-chloro-1-benzofuran-2-yl)-N-ethyl-4-methoxypentan-1-amine
CID 105185660
1-(5-chloro-1-benzofuran-2-yl)-N,2-diethylhexan-1-amine
CID 105045797
1-(5-chloro-1-benzofuran-2-yl)-N-ethyl-2-methylsulfanylethanamine
CID 114728420
1-(5-chloro-1-benzofuran-2-yl)-2-methoxy-N,2-dimethylbutan-1-amine
CID 114731317
N-[(5-chloro-1-benzofuran-2-yl)-(3-methylfuran-2-yl)methyl]ethanamine
CID 114730985
[1-(5-chloro-1-benzofuran-2-yl)-2-methylpentyl]hydrazine
CID 105338554
[1-(5-chloro-1-benzofuran-2-yl)-2,2-diethoxyethyl]hydrazine
CID 105246260
1-(5-chloro-1-benzofuran-2-yl)-2,2-diethoxy-N-methylethanamine
CID 114729838
1-(5-chloro-1-benzofuran-2-yl)-2,2-diethoxyethanamine
CID 114729832
N-[(5-chloro-1-benzofuran-2-yl)-(2,5-dimethylfuran-3-yl)methyl]ethanamine
CID 105045861
1-(5-chloro-2-fluorophenyl)-N-ethyl-3-methoxy-4,4-dimethylpentan-2-amine
CID 103049142
N-[7-bicyclo[4.1.0]heptanyl-(5-chloro-1-benzofuran-2-yl)methyl]ethanamine
CID 105045723

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-1-benzofuran-2-yl)-N-ethyl-2-methoxy-3,3-dimethylbutan-1-amine?
The IUPAC name of 1-(5-chloro-1-benzofuran-2-yl)-N-ethyl-2-methoxy-3,3-dimethylbutan-1-amine (CID 114731265) is 1-(5-chloro-1-benzofuran-2-yl)-N-ethyl-2-methoxy-3,3-dimethylbutan-1-amine.
What is the SMILES notation for 1-(5-chloro-1-benzofuran-2-yl)-N-ethyl-2-methoxy-3,3-dimethylbutan-1-amine?
The canonical SMILES for 1-(5-chloro-1-benzofuran-2-yl)-N-ethyl-2-methoxy-3,3-dimethylbutan-1-amine is CCNC(c1cc2cc(Cl)ccc2o1)C(OC)C(C)(C)C.
What is the InChIKey of 1-(5-chloro-1-benzofuran-2-yl)-N-ethyl-2-methoxy-3,3-dimethylbutan-1-amine?
The InChIKey is IBOQONBOKMAAPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClNO2/c1-6-19-15(16(20-5)17(2,3)4)14-10-11-9-12(18)7-8-13(11)21-14/h7-10,15-16,19H,6H2,1-5H3.
What are the key properties of 1-(5-chloro-1-benzofuran-2-yl)-N-ethyl-2-methoxy-3,3-dimethylbutan-1-amine?
1-(5-chloro-1-benzofuran-2-yl)-N-ethyl-2-methoxy-3,3-dimethylbutan-1-amine has a molecular weight of 309.84 g/mol, XLogP of 4.80, 5 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-2-methoxy-3,3-dimethylbutan-1-amine is sourced from PubChem (CID 114731265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).