1-(5-chloro-1-benzofuran-2-yl)-2,2-diethoxy-N-methylethanamine

C15H20ClNO3 — CID 114729838

IUPAC1-(5-chloro-1-benzofuran-2-yl)-2,2-diethoxy-N-methylethanamine
SMILESCCOC(OCC)C(NC)c1cc2cc(Cl)ccc2o1
InChIInChI=1S/C15H20ClNO3/c1-4-18-15(19-5-2)14(17-3)13-9-10-8-11(16)6-7-12(10)20-13/h6-9,14-15,17H,4-5H2,1-3H3
InChIKeyRVTVCQQEXOAGIM-UHFFFAOYSA-N
MW297.78 g/mol
LogP3.75
Rot. Bonds7

About 1-(5-chloro-1-benzofuran-2-yl)-2,2-diethoxy-N-methylethanamine

1-(5-chloro-1-benzofuran-2-yl)-2,2-diethoxy-N-methylethanamine (PubChem CID 114729838) has the molecular formula C15H20ClNO3 and a molecular weight of 297.78 g/mol. Its IUPAC name is 1-(5-chloro-1-benzofuran-2-yl)-2,2-diethoxy-N-methylethanamine.

Molecular Properties

Compound Name1-(5-chloro-1-benzofuran-2-yl)-2,2-diethoxy-N-methylethanamine
PubChem CID114729838
Molecular FormulaC15H20ClNO3
Molecular Weight297.78 g/mol
Exact Mass297.11
IUPAC Name1-(5-chloro-1-benzofuran-2-yl)-2,2-diethoxy-N-methylethanamine
SMILESCCOC(OCC)C(NC)c1cc2cc(Cl)ccc2o1
InChIInChI=1S/C15H20ClNO3/c1-4-18-15(19-5-2)14(17-3)13-9-10-8-11(16)6-7-12(10)20-13/h6-9,14-15,17H,4-5H2,1-3H3
InChIKeyRVTVCQQEXOAGIM-UHFFFAOYSA-N
XLogP3.75
TPSA43.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.78
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

[1-(5-chloro-1-benzofuran-2-yl)-2,2-diethoxyethyl]hydrazine
CID 105246260
1-(5-chloro-1-benzofuran-2-yl)-2,2-diethoxyethanamine
CID 114729832
3-(5-chloro-1-benzofuran-2-yl)-N,2-dimethylbutan-1-amine
CID 114735605
1-(5-chloro-1-benzofuran-2-yl)-2-methoxy-N,2-dimethylbutan-1-amine
CID 114731317
1-(5-chloro-1-benzofuran-2-yl)-1-(1-ethylcyclopentyl)-N-methylmethanamine
CID 105045875
(1S)-1-(5-chloro-1-benzofuran-2-yl)propan-1-ol
CID 96826863
[1-(5-chloro-1-benzofuran-2-yl)-2-methylpentyl]hydrazine
CID 105338554
5-chloro-2-(1-chlorobutyl)-1-benzofuran
CID 130480572
1-(5-chloro-1-benzofuran-2-yl)butylhydrazine
CID 105202028
1-(5-chloro-1-benzofuran-2-yl)-N-ethyl-2-methoxy-3,3-dimethylbutan-1-amine
CID 114731265
1-(5-chloro-1-benzofuran-2-yl)-N-methyl-1-(4-methylphenyl)methanamine
CID 114727660
1-(5-chloro-1-benzofuran-2-yl)-2-propan-2-yloxyethanol
CID 105129479

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-1-benzofuran-2-yl)-2,2-diethoxy-N-methylethanamine?
The IUPAC name of 1-(5-chloro-1-benzofuran-2-yl)-2,2-diethoxy-N-methylethanamine (CID 114729838) is 1-(5-chloro-1-benzofuran-2-yl)-2,2-diethoxy-N-methylethanamine.
What is the SMILES notation for 1-(5-chloro-1-benzofuran-2-yl)-2,2-diethoxy-N-methylethanamine?
The canonical SMILES for 1-(5-chloro-1-benzofuran-2-yl)-2,2-diethoxy-N-methylethanamine is CCOC(OCC)C(NC)c1cc2cc(Cl)ccc2o1.
What is the InChIKey of 1-(5-chloro-1-benzofuran-2-yl)-2,2-diethoxy-N-methylethanamine?
The InChIKey is RVTVCQQEXOAGIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO3/c1-4-18-15(19-5-2)14(17-3)13-9-10-8-11(16)6-7-12(10)20-13/h6-9,14-15,17H,4-5H2,1-3H3.
What are the key properties of 1-(5-chloro-1-benzofuran-2-yl)-2,2-diethoxy-N-methylethanamine?
1-(5-chloro-1-benzofuran-2-yl)-2,2-diethoxy-N-methylethanamine has a molecular weight of 297.78 g/mol, XLogP of 3.75, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-1-benzofuran-2-yl)-2,2-diethoxy-N-methylethanamine is sourced from PubChem (CID 114729838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).