2-(7-chloro-6-methoxy-2,3-dihydro-1-benzofuran-5-yl)ethanamine

C11H14ClNO2 — CID 83893031

IUPAC2-(7-chloro-6-methoxy-2,3-dihydro-1-benzofuran-5-yl)ethanamine
SMILESCOc1c(CCN)cc2c(c1Cl)OCC2
InChIInChI=1S/C11H14ClNO2/c1-14-10-7(2-4-13)6-8-3-5-15-11(8)9(10)12/h6H,2-5,13H2,1H3
InChIKeyDLRZAXRIBDTRFQ-UHFFFAOYSA-N
MW227.69 g/mol
LogP1.78
Rot. Bonds3

About 2-(7-chloro-6-methoxy-2,3-dihydro-1-benzofuran-5-yl)ethanamine

2-(7-chloro-6-methoxy-2,3-dihydro-1-benzofuran-5-yl)ethanamine (PubChem CID 83893031) has the molecular formula C11H14ClNO2 and a molecular weight of 227.69 g/mol. Its IUPAC name is 2-(7-chloro-6-methoxy-2,3-dihydro-1-benzofuran-5-yl)ethanamine.

Molecular Properties

Compound Name2-(7-chloro-6-methoxy-2,3-dihydro-1-benzofuran-5-yl)ethanamine
PubChem CID83893031
Molecular FormulaC11H14ClNO2
Molecular Weight227.69 g/mol
Exact Mass227.07
IUPAC Name2-(7-chloro-6-methoxy-2,3-dihydro-1-benzofuran-5-yl)ethanamine
SMILESCOc1c(CCN)cc2c(c1Cl)OCC2
InChIInChI=1S/C11H14ClNO2/c1-14-10-7(2-4-13)6-8-3-5-15-11(8)9(10)12/h6H,2-5,13H2,1H3
InChIKeyDLRZAXRIBDTRFQ-UHFFFAOYSA-N
XLogP1.78
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.69
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(7-chloro-6-methoxy-2-methyl-2,3-dihydro-1-benzofuran-5-yl)ethanamine
CID 83899169
2-(7-chloro-2,3-dihydro-1-benzofuran-5-yl)ethanamine
CID 83880247
3-(5-chloro-6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)propanoic acid
CID 117434366
2-(7-chloro-6-methoxy-1,3-benzodioxol-5-yl)ethanol
CID 117333233
2-(2,5-dimethoxy-3,4-dimethylphenyl)ethanamine
CID 22238091
5-(1-aminopropan-2-yl)-7-chloro-2,3-dihydro-1-benzofuran-6-ol
CID 83893029
3-(7-chloro-6-methoxy-1,3-benzodioxol-5-yl)propan-1-ol
CID 117363636
[5-(2,3-dimethoxyphenyl)-2,3-dihydro-1-benzofuran-7-yl]methanamine
CID 104703426
2-(5-tert-butyl-3-chloro-2-methoxyphenyl)ethanamine
CID 83899229
2-[3-chloro-5-(ethoxymethyl)-2-methoxyphenyl]ethanamine
CID 170888160
4-(3-chloro-2,4-dimethoxy-5-methylphenyl)butan-1-amine
CID 117398141
2-(4-methoxy-1,3-benzodioxol-5-yl)ethanamine
CID 11127161

Frequently Asked Questions

What is the IUPAC name of 2-(7-chloro-6-methoxy-2,3-dihydro-1-benzofuran-5-yl)ethanamine?
The IUPAC name of 2-(7-chloro-6-methoxy-2,3-dihydro-1-benzofuran-5-yl)ethanamine (CID 83893031) is 2-(7-chloro-6-methoxy-2,3-dihydro-1-benzofuran-5-yl)ethanamine.
What is the SMILES notation for 2-(7-chloro-6-methoxy-2,3-dihydro-1-benzofuran-5-yl)ethanamine?
The canonical SMILES for 2-(7-chloro-6-methoxy-2,3-dihydro-1-benzofuran-5-yl)ethanamine is COc1c(CCN)cc2c(c1Cl)OCC2.
What is the InChIKey of 2-(7-chloro-6-methoxy-2,3-dihydro-1-benzofuran-5-yl)ethanamine?
The InChIKey is DLRZAXRIBDTRFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO2/c1-14-10-7(2-4-13)6-8-3-5-15-11(8)9(10)12/h6H,2-5,13H2,1H3.
What are the key properties of 2-(7-chloro-6-methoxy-2,3-dihydro-1-benzofuran-5-yl)ethanamine?
2-(7-chloro-6-methoxy-2,3-dihydro-1-benzofuran-5-yl)ethanamine has a molecular weight of 227.69 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-chloro-6-methoxy-2,3-dihydro-1-benzofuran-5-yl)ethanamine is sourced from PubChem (CID 83893031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).