2-(7-chloro-2,3-dihydro-1-benzofuran-5-yl)-N-methylethanamine

C11H14ClNO — CID 83885677

IUPAC2-(7-chloro-2,3-dihydro-1-benzofuran-5-yl)-N-methylethanamine
SMILESCNCCc1cc(Cl)c2c(c1)CCO2
InChIInChI=1S/C11H14ClNO/c1-13-4-2-8-6-9-3-5-14-11(9)10(12)7-8/h6-7,13H,2-5H2,1H3
InChIKeyQELOKUUKKBALCY-UHFFFAOYSA-N
MW211.69 g/mol
LogP2.04
Rot. Bonds3

About 2-(7-chloro-2,3-dihydro-1-benzofuran-5-yl)-N-methylethanamine

2-(7-chloro-2,3-dihydro-1-benzofuran-5-yl)-N-methylethanamine (PubChem CID 83885677) has the molecular formula C11H14ClNO and a molecular weight of 211.69 g/mol. Its IUPAC name is 2-(7-chloro-2,3-dihydro-1-benzofuran-5-yl)-N-methylethanamine.

Molecular Properties

Compound Name2-(7-chloro-2,3-dihydro-1-benzofuran-5-yl)-N-methylethanamine
PubChem CID83885677
Molecular FormulaC11H14ClNO
Molecular Weight211.69 g/mol
Exact Mass211.08
IUPAC Name2-(7-chloro-2,3-dihydro-1-benzofuran-5-yl)-N-methylethanamine
SMILESCNCCc1cc(Cl)c2c(c1)CCO2
InChIInChI=1S/C11H14ClNO/c1-13-4-2-8-6-9-3-5-14-11(9)10(12)7-8/h6-7,13H,2-5H2,1H3
InChIKeyQELOKUUKKBALCY-UHFFFAOYSA-N
XLogP2.04
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.69
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(7-chloro-2,3-dihydro-1-benzofuran-5-yl)ethanamine
CID 83880247
2-(7-chloro-1,3-benzodioxol-5-yl)-N-methylethanamine
CID 64868326
5-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-N,3,3-trimethylpentan-1-amine
CID 104544518
(1S)-1-(7-chloro-2,3-dihydro-1-benzofuran-5-yl)ethanamine
CID 130658252
2-(9-chloro-6-ethyl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-methylethanamine
CID 117428025
2-(3,5-dichloro-4-ethoxyphenyl)-N-methylethanamine
CID 82550874
N-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]-4-(methylamino)butanamide
CID 119697998
(2R)-2-(7-chloro-2,3-dihydro-1-benzofuran-5-yl)azetidine
CID 130708733
8-chloro-3,4-dihydro-2H-chromen-6-ol
CID 84659825
[1-(7-chloro-2,3-dihydro-1-benzofuran-5-yl)cyclohexyl]methanamine
CID 117418736
3-(2,3-dihydro-1-benzofuran-7-yl)-N-methylpropan-1-amine
CID 114746889
2-[5-[(3,4-dichlorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-N-methylethanamine
CID 63047021

Frequently Asked Questions

What is the IUPAC name of 2-(7-chloro-2,3-dihydro-1-benzofuran-5-yl)-N-methylethanamine?
The IUPAC name of 2-(7-chloro-2,3-dihydro-1-benzofuran-5-yl)-N-methylethanamine (CID 83885677) is 2-(7-chloro-2,3-dihydro-1-benzofuran-5-yl)-N-methylethanamine.
What is the SMILES notation for 2-(7-chloro-2,3-dihydro-1-benzofuran-5-yl)-N-methylethanamine?
The canonical SMILES for 2-(7-chloro-2,3-dihydro-1-benzofuran-5-yl)-N-methylethanamine is CNCCc1cc(Cl)c2c(c1)CCO2.
What is the InChIKey of 2-(7-chloro-2,3-dihydro-1-benzofuran-5-yl)-N-methylethanamine?
The InChIKey is QELOKUUKKBALCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO/c1-13-4-2-8-6-9-3-5-14-11(9)10(12)7-8/h6-7,13H,2-5H2,1H3.
What are the key properties of 2-(7-chloro-2,3-dihydro-1-benzofuran-5-yl)-N-methylethanamine?
2-(7-chloro-2,3-dihydro-1-benzofuran-5-yl)-N-methylethanamine has a molecular weight of 211.69 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-chloro-2,3-dihydro-1-benzofuran-5-yl)-N-methylethanamine is sourced from PubChem (CID 83885677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).