1-[7-(5-chloro-2-methoxyphenyl)-2,3-dihydro-1-benzofuran-2-yl]ethanamine

C17H18ClNO2 — CID 91430918

IUPAC1-[7-(5-chloro-2-methoxyphenyl)-2,3-dihydro-1-benzofuran-2-yl]ethanamine
SMILESCOc1ccc(Cl)cc1-c1cccc2c1OC(C(C)N)C2
InChIInChI=1S/C17H18ClNO2/c1-10(19)16-8-11-4-3-5-13(17(11)21-16)14-9-12(18)6-7-15(14)20-2/h3-7,9-10,16H,8,19H2,1-2H3
InChIKeyPUFRRYYCVHDVHD-UHFFFAOYSA-N
MW303.79 g/mol
LogP3.67
Rot. Bonds3

About 1-[7-(5-chloro-2-methoxyphenyl)-2,3-dihydro-1-benzofuran-2-yl]ethanamine

1-[7-(5-chloro-2-methoxyphenyl)-2,3-dihydro-1-benzofuran-2-yl]ethanamine (PubChem CID 91430918) has the molecular formula C17H18ClNO2 and a molecular weight of 303.79 g/mol. Its IUPAC name is 1-[7-(5-chloro-2-methoxyphenyl)-2,3-dihydro-1-benzofuran-2-yl]ethanamine.

Molecular Properties

Compound Name1-[7-(5-chloro-2-methoxyphenyl)-2,3-dihydro-1-benzofuran-2-yl]ethanamine
PubChem CID91430918
Molecular FormulaC17H18ClNO2
Molecular Weight303.79 g/mol
Exact Mass303.10
IUPAC Name1-[7-(5-chloro-2-methoxyphenyl)-2,3-dihydro-1-benzofuran-2-yl]ethanamine
SMILESCOc1ccc(Cl)cc1-c1cccc2c1OC(C(C)N)C2
InChIInChI=1S/C17H18ClNO2/c1-10(19)16-8-11-4-3-5-13(17(11)21-16)14-9-12(18)6-7-15(14)20-2/h3-7,9-10,16H,8,19H2,1-2H3
InChIKeyPUFRRYYCVHDVHD-UHFFFAOYSA-N
XLogP3.67
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.79
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-(5-chloro-2-methoxyphenyl)-2-methyl-2,3-dihydro-1-benzofuran
CID 69108156
1-(6-chloro-2,3-dihydro-1-benzofuran-2-yl)ethanamine
CID 54124385
1-[5-chloro-7-(5-chloro-2-methoxyphenyl)-2,3-dihydro-1-benzofuran-2-yl]-N-methylmethanamine
CID 68961665
[2-(1-aminoethyl)morpholin-4-yl]-(5-chloro-2-methoxyphenyl)methanone
CID 81484092
[(2S)-7-(3-fluoro-4-methoxyphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 95229130
[(2R)-7-[3-(2-methoxyphenyl)phenyl]-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 95217944
5-chloro-7-(2,3-dimethoxyphenyl)-2-methyl-2,3-dihydro-1-benzofuran
CID 69181308
[(2S)-7-(2,4-dimethoxyphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 129383363
[7-(4-chloro-2-methylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanol
CID 68964315
[(2R)-7-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 95225144
2-[2-amino-3-(5-chloro-2-methoxyphenyl)phenyl]ethanol
CID 154393848
[(2R)-6-chloro-8-(2-methoxyphenyl)-3,4-dihydro-2H-chromen-2-yl]methanamine
CID 59664219

Frequently Asked Questions

What is the IUPAC name of 1-[7-(5-chloro-2-methoxyphenyl)-2,3-dihydro-1-benzofuran-2-yl]ethanamine?
The IUPAC name of 1-[7-(5-chloro-2-methoxyphenyl)-2,3-dihydro-1-benzofuran-2-yl]ethanamine (CID 91430918) is 1-[7-(5-chloro-2-methoxyphenyl)-2,3-dihydro-1-benzofuran-2-yl]ethanamine.
What is the SMILES notation for 1-[7-(5-chloro-2-methoxyphenyl)-2,3-dihydro-1-benzofuran-2-yl]ethanamine?
The canonical SMILES for 1-[7-(5-chloro-2-methoxyphenyl)-2,3-dihydro-1-benzofuran-2-yl]ethanamine is COc1ccc(Cl)cc1-c1cccc2c1OC(C(C)N)C2.
What is the InChIKey of 1-[7-(5-chloro-2-methoxyphenyl)-2,3-dihydro-1-benzofuran-2-yl]ethanamine?
The InChIKey is PUFRRYYCVHDVHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO2/c1-10(19)16-8-11-4-3-5-13(17(11)21-16)14-9-12(18)6-7-15(14)20-2/h3-7,9-10,16H,8,19H2,1-2H3.
What are the key properties of 1-[7-(5-chloro-2-methoxyphenyl)-2,3-dihydro-1-benzofuran-2-yl]ethanamine?
1-[7-(5-chloro-2-methoxyphenyl)-2,3-dihydro-1-benzofuran-2-yl]ethanamine has a molecular weight of 303.79 g/mol, XLogP of 3.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[7-(5-chloro-2-methoxyphenyl)-2,3-dihydro-1-benzofuran-2-yl]ethanamine is sourced from PubChem (CID 91430918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).