1-(4-chloro-7-methoxy-2,3-dihydro-1-benzofuran-5-yl)ethanamine

C11H14ClNO2 — CID 117327727

IUPAC1-(4-chloro-7-methoxy-2,3-dihydro-1-benzofuran-5-yl)ethanamine
SMILESCOc1cc(C(C)N)c(Cl)c2c1OCC2
InChIInChI=1S/C11H14ClNO2/c1-6(13)8-5-9(14-2)11-7(10(8)12)3-4-15-11/h5-6H,3-4,13H2,1-2H3
InChIKeyRXZHCRADZHGBGL-UHFFFAOYSA-N
MW227.69 g/mol
LogP2.30
Rot. Bonds2

About 1-(4-chloro-7-methoxy-2,3-dihydro-1-benzofuran-5-yl)ethanamine

1-(4-chloro-7-methoxy-2,3-dihydro-1-benzofuran-5-yl)ethanamine (PubChem CID 117327727) has the molecular formula C11H14ClNO2 and a molecular weight of 227.69 g/mol. Its IUPAC name is 1-(4-chloro-7-methoxy-2,3-dihydro-1-benzofuran-5-yl)ethanamine.

Molecular Properties

Compound Name1-(4-chloro-7-methoxy-2,3-dihydro-1-benzofuran-5-yl)ethanamine
PubChem CID117327727
Molecular FormulaC11H14ClNO2
Molecular Weight227.69 g/mol
Exact Mass227.07
IUPAC Name1-(4-chloro-7-methoxy-2,3-dihydro-1-benzofuran-5-yl)ethanamine
SMILESCOc1cc(C(C)N)c(Cl)c2c1OCC2
InChIInChI=1S/C11H14ClNO2/c1-6(13)8-5-9(14-2)11-7(10(8)12)3-4-15-11/h5-6H,3-4,13H2,1-2H3
InChIKeyRXZHCRADZHGBGL-UHFFFAOYSA-N
XLogP2.30
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.69
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chloro-7-methoxy-2,3-dihydro-1-benzofuran-5-yl)propan-2-amine
CID 117356405
1-(4-chloro-7-methoxy-2,3-dihydro-1-benzofuran-5-yl)propan-2-ol
CID 117358761
4-chloro-7-methoxy-2,3-dihydro-1-benzofuran-5-carbaldehyde
CID 117275802
(4-chloro-7-methoxy-2,3-dihydro-1-benzofuran-5-yl)methanol
CID 117305849
3-(4-chloro-7-methoxy-2,3-dihydro-1-benzofuran-5-yl)propan-1-ol
CID 117358684
ethyl 2-(4-chloro-7-methoxy-2,3-dihydro-1-benzofuran-5-yl)-2-oxoacetate
CID 117458127
2-(4-bromo-7-methoxy-2,3-dihydro-1-benzofuran-5-yl)propanoic acid
CID 117484849
(1S)-1-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)ethanamine
CID 131600341
4-(4-chloro-7-methoxy-2,3-dihydro-1-benzofuran-5-yl)butanoic acid
CID 117429741
1-[(4-chloro-7-methoxy-2,3-dihydro-1-benzofuran-5-yl)methyl]piperazine
CID 117454644
2-amino-2-(7-methoxy-2,3-dihydro-1-benzofuran-4-yl)ethanol
CID 84780583
3-(4-chloro-7-methoxy-2,3-dihydro-1-benzofuran-5-yl)piperidine
CID 117423076

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-7-methoxy-2,3-dihydro-1-benzofuran-5-yl)ethanamine?
The IUPAC name of 1-(4-chloro-7-methoxy-2,3-dihydro-1-benzofuran-5-yl)ethanamine (CID 117327727) is 1-(4-chloro-7-methoxy-2,3-dihydro-1-benzofuran-5-yl)ethanamine.
What is the SMILES notation for 1-(4-chloro-7-methoxy-2,3-dihydro-1-benzofuran-5-yl)ethanamine?
The canonical SMILES for 1-(4-chloro-7-methoxy-2,3-dihydro-1-benzofuran-5-yl)ethanamine is COc1cc(C(C)N)c(Cl)c2c1OCC2.
What is the InChIKey of 1-(4-chloro-7-methoxy-2,3-dihydro-1-benzofuran-5-yl)ethanamine?
The InChIKey is RXZHCRADZHGBGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO2/c1-6(13)8-5-9(14-2)11-7(10(8)12)3-4-15-11/h5-6H,3-4,13H2,1-2H3.
What are the key properties of 1-(4-chloro-7-methoxy-2,3-dihydro-1-benzofuran-5-yl)ethanamine?
1-(4-chloro-7-methoxy-2,3-dihydro-1-benzofuran-5-yl)ethanamine has a molecular weight of 227.69 g/mol, XLogP of 2.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-7-methoxy-2,3-dihydro-1-benzofuran-5-yl)ethanamine is sourced from PubChem (CID 117327727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).