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

C12H16ClNO2 — CID 83899169

IUPAC2-(7-chloro-6-methoxy-2-methyl-2,3-dihydro-1-benzofuran-5-yl)ethanamine
SMILESCOc1c(CCN)cc2c(c1Cl)OC(C)C2
InChIInChI=1S/C12H16ClNO2/c1-7-5-9-6-8(3-4-14)11(15-2)10(13)12(9)16-7/h6-7H,3-5,14H2,1-2H3
InChIKeyJNSNUBDZNOPHRW-UHFFFAOYSA-N
MW241.72 g/mol
LogP2.17
Rot. Bonds3

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

2-(7-chloro-6-methoxy-2-methyl-2,3-dihydro-1-benzofuran-5-yl)ethanamine (PubChem CID 83899169) has the molecular formula C12H16ClNO2 and a molecular weight of 241.72 g/mol. Its IUPAC name is 2-(7-chloro-6-methoxy-2-methyl-2,3-dihydro-1-benzofuran-5-yl)ethanamine.

Molecular Properties

Compound Name2-(7-chloro-6-methoxy-2-methyl-2,3-dihydro-1-benzofuran-5-yl)ethanamine
PubChem CID83899169
Molecular FormulaC12H16ClNO2
Molecular Weight241.72 g/mol
Exact Mass241.09
IUPAC Name2-(7-chloro-6-methoxy-2-methyl-2,3-dihydro-1-benzofuran-5-yl)ethanamine
SMILESCOc1c(CCN)cc2c(c1Cl)OC(C)C2
InChIInChI=1S/C12H16ClNO2/c1-7-5-9-6-8(3-4-14)11(15-2)10(13)12(9)16-7/h6-7H,3-5,14H2,1-2H3
InChIKeyJNSNUBDZNOPHRW-UHFFFAOYSA-N
XLogP2.17
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-chloro-2-methyl-2,3-dihydro-1-benzofuran-7-yl)ethanamine
CID 83885675
2-(7-chloro-6-methoxy-2,3-dihydro-1-benzofuran-5-yl)ethanamine
CID 83893031
2-(6-methoxy-2-methyl-2,3-dihydro-1-benzofuran-5-yl)ethanamine
CID 83883232
2-(2,7-dimethyl-2,3-dihydro-1-benzofuran-6-yl)ethanamine
CID 55254026
2-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)ethanamine
CID 3951670
4-(5-chloro-2-methyl-2,3-dihydro-1-benzofuran-7-yl)butan-1-amine
CID 117352257
7-(2,5-dichlorophenyl)-5-methoxy-2-methyl-2,3-dihydro-1-benzofuran
CID 69107948
4-(3-chloro-2,4-dimethoxy-5-methylphenyl)butan-1-amine
CID 117398141
5-chloro-7-(2,3-dimethoxyphenyl)-2-methyl-2,3-dihydro-1-benzofuran
CID 69181308
2-(4-chloro-7-methoxy-2-methyl-2,3-dihydro-1-benzofuran-5-yl)ethanol
CID 117358659
4-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)butan-1-amine
CID 115349672
7-(2,4-dichlorophenyl)-5-methoxy-2-methyl-2,3-dihydro-1-benzofuran
CID 69177577

Frequently Asked Questions

What is the IUPAC name of 2-(7-chloro-6-methoxy-2-methyl-2,3-dihydro-1-benzofuran-5-yl)ethanamine?
The IUPAC name of 2-(7-chloro-6-methoxy-2-methyl-2,3-dihydro-1-benzofuran-5-yl)ethanamine (CID 83899169) is 2-(7-chloro-6-methoxy-2-methyl-2,3-dihydro-1-benzofuran-5-yl)ethanamine.
What is the SMILES notation for 2-(7-chloro-6-methoxy-2-methyl-2,3-dihydro-1-benzofuran-5-yl)ethanamine?
The canonical SMILES for 2-(7-chloro-6-methoxy-2-methyl-2,3-dihydro-1-benzofuran-5-yl)ethanamine is COc1c(CCN)cc2c(c1Cl)OC(C)C2.
What is the InChIKey of 2-(7-chloro-6-methoxy-2-methyl-2,3-dihydro-1-benzofuran-5-yl)ethanamine?
The InChIKey is JNSNUBDZNOPHRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO2/c1-7-5-9-6-8(3-4-14)11(15-2)10(13)12(9)16-7/h6-7H,3-5,14H2,1-2H3.
What are the key properties of 2-(7-chloro-6-methoxy-2-methyl-2,3-dihydro-1-benzofuran-5-yl)ethanamine?
2-(7-chloro-6-methoxy-2-methyl-2,3-dihydro-1-benzofuran-5-yl)ethanamine has a molecular weight of 241.72 g/mol, XLogP of 2.17, 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-methyl-2,3-dihydro-1-benzofuran-5-yl)ethanamine is sourced from PubChem (CID 83899169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).