2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-N-methyl-1-(5-methyloxolan-2-yl)ethanamine

C16H22ClNO2 — CID 105031407

IUPAC2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-N-methyl-1-(5-methyloxolan-2-yl)ethanamine
SMILESCNC(Cc1cc(Cl)cc2c1OCC2)C1CCC(C)O1
InChIInChI=1S/C16H22ClNO2/c1-10-3-4-15(20-10)14(18-2)9-12-8-13(17)7-11-5-6-19-16(11)12/h7-8,10,14-15,18H,3-6,9H2,1-2H3
InChIKeyZVXAUBLTBLVHFG-UHFFFAOYSA-N
MW295.81 g/mol
LogP2.97
Rot. Bonds4

About 2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-N-methyl-1-(5-methyloxolan-2-yl)ethanamine

2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-N-methyl-1-(5-methyloxolan-2-yl)ethanamine (PubChem CID 105031407) has the molecular formula C16H22ClNO2 and a molecular weight of 295.81 g/mol. Its IUPAC name is 2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-N-methyl-1-(5-methyloxolan-2-yl)ethanamine.

Molecular Properties

Compound Name2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-N-methyl-1-(5-methyloxolan-2-yl)ethanamine
PubChem CID105031407
Molecular FormulaC16H22ClNO2
Molecular Weight295.81 g/mol
Exact Mass295.13
IUPAC Name2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-N-methyl-1-(5-methyloxolan-2-yl)ethanamine
SMILESCNC(Cc1cc(Cl)cc2c1OCC2)C1CCC(C)O1
InChIInChI=1S/C16H22ClNO2/c1-10-3-4-15(20-10)14(18-2)9-12-8-13(17)7-11-5-6-19-16(11)12/h7-8,10,14-15,18H,3-6,9H2,1-2H3
InChIKeyZVXAUBLTBLVHFG-UHFFFAOYSA-N
XLogP2.97
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.81
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-N-methyl-1-(5-methyloxolan-2-yl)ethanamine with MolForge

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Related Compounds

[2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-cyclopentylethyl]hydrazine
CID 105204339
5-chloro-7-(2-chloropropyl)-2,3-dihydro-1-benzofuran
CID 126973912
1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-N-methyl-3-[(2-methylpropan-2-yl)oxy]propan-2-amine
CID 105178379
2-(3,4-dichlorophenyl)-N-methyl-1-(5-methyloxolan-2-yl)ethanamine
CID 115843383
2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-cyclopentylethanamine
CID 113403553
1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-N-ethyl-3-methylbutan-2-amine
CID 113403546
2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-(oxan-2-yl)ethanol
CID 115830818
1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-3-ethoxy-N,4-dimethylpentan-2-amine
CID 116721258
1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-3-ethyl-N-methylheptan-2-amine
CID 105031448
1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-N-methyl-4-(oxolan-2-yl)butan-2-amine
CID 105031427
2-(5-chlorothiophen-2-yl)-N-methyl-1-(5-methyloxolan-2-yl)ethanamine
CID 115841409
1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-3-cyclopentylpropan-2-amine
CID 105031505

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-N-methyl-1-(5-methyloxolan-2-yl)ethanamine?
The IUPAC name of 2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-N-methyl-1-(5-methyloxolan-2-yl)ethanamine (CID 105031407) is 2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-N-methyl-1-(5-methyloxolan-2-yl)ethanamine.
What is the SMILES notation for 2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-N-methyl-1-(5-methyloxolan-2-yl)ethanamine?
The canonical SMILES for 2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-N-methyl-1-(5-methyloxolan-2-yl)ethanamine is CNC(Cc1cc(Cl)cc2c1OCC2)C1CCC(C)O1.
What is the InChIKey of 2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-N-methyl-1-(5-methyloxolan-2-yl)ethanamine?
The InChIKey is ZVXAUBLTBLVHFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClNO2/c1-10-3-4-15(20-10)14(18-2)9-12-8-13(17)7-11-5-6-19-16(11)12/h7-8,10,14-15,18H,3-6,9H2,1-2H3.
What are the key properties of 2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-N-methyl-1-(5-methyloxolan-2-yl)ethanamine?
2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-N-methyl-1-(5-methyloxolan-2-yl)ethanamine has a molecular weight of 295.81 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-N-methyl-1-(5-methyloxolan-2-yl)ethanamine is sourced from PubChem (CID 105031407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).