[(2R)-7-(2,6-dichlorophenyl)-5-methyl-2,3-dihydro-1-benzofuran-2-yl]methanamine

C16H15Cl2NO — CID 129364398

IUPAC[(2R)-7-(2,6-dichlorophenyl)-5-methyl-2,3-dihydro-1-benzofuran-2-yl]methanamine
SMILESCc1cc2c(c(-c3c(Cl)cccc3Cl)c1)O[C@@H](CN)C2
InChIInChI=1S/C16H15Cl2NO/c1-9-5-10-7-11(8-19)20-16(10)12(6-9)15-13(17)3-2-4-14(15)18/h2-6,11H,7-8,19H2,1H3/t11-/m1/s1
InChIKeyHTVCYUUWRALFSN-LLVKDONJSA-N
MW308.21 g/mol
LogP4.23
Rot. Bonds2

About [(2R)-7-(2,6-dichlorophenyl)-5-methyl-2,3-dihydro-1-benzofuran-2-yl]methanamine

[(2R)-7-(2,6-dichlorophenyl)-5-methyl-2,3-dihydro-1-benzofuran-2-yl]methanamine (PubChem CID 129364398) has the molecular formula C16H15Cl2NO and a molecular weight of 308.21 g/mol. Its IUPAC name is [(2R)-7-(2,6-dichlorophenyl)-5-methyl-2,3-dihydro-1-benzofuran-2-yl]methanamine.

Molecular Properties

Compound Name[(2R)-7-(2,6-dichlorophenyl)-5-methyl-2,3-dihydro-1-benzofuran-2-yl]methanamine
PubChem CID129364398
Molecular FormulaC16H15Cl2NO
Molecular Weight308.21 g/mol
Exact Mass307.05
IUPAC Name[(2R)-7-(2,6-dichlorophenyl)-5-methyl-2,3-dihydro-1-benzofuran-2-yl]methanamine
SMILESCc1cc2c(c(-c3c(Cl)cccc3Cl)c1)O[C@@H](CN)C2
InChIInChI=1S/C16H15Cl2NO/c1-9-5-10-7-11(8-19)20-16(10)12(6-9)15-13(17)3-2-4-14(15)18/h2-6,11H,7-8,19H2,1H3/t11-/m1/s1
InChIKeyHTVCYUUWRALFSN-LLVKDONJSA-N
XLogP4.23
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.21
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(2S)-5-chloro-7-(2,6-dimethylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 129384142
(2S)-7-(2,6-dichlorophenyl)-2-ethyl-5-fluoro-2,3-dihydro-1-benzofuran;[(2R)-7-(2,6-dichlorophenyl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methanamine;hydrochloride
CID 158978054
7-(2,6-dichlorophenyl)-5-methyl-2-(2-phenylethyl)-2,3-dihydro-1-benzofuran
CID 69107909
7-(2,6-dichlorophenyl)-2,5-dimethyl-2,3-dihydro-1-benzofuran
CID 69108438
[(2R)-5-methyl-7-(2-methylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 129395361
[(2R)-5-chloro-7-(3-methylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 129383339
[7-(2,6-dimethylphenyl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 11448636
benzyl-[[7-(2,6-dichlorophenyl)-5-methyl-2,3-dihydro-1-benzofuran-2-yl]methyl]carbamic acid
CID 69108251
[(2R)-5-methyl-7-thiophen-2-yl-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 95206107
(5-methyl-7-thiophen-2-yl-2,3-dihydro-1-benzofuran-2-yl)methanamine
CID 56707530
[(2R)-5-chloro-7-(2-methylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 129383347
[5-chloro-7-(2-methylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 11960947

Frequently Asked Questions

What is the IUPAC name of [(2R)-7-(2,6-dichlorophenyl)-5-methyl-2,3-dihydro-1-benzofuran-2-yl]methanamine?
The IUPAC name of [(2R)-7-(2,6-dichlorophenyl)-5-methyl-2,3-dihydro-1-benzofuran-2-yl]methanamine (CID 129364398) is [(2R)-7-(2,6-dichlorophenyl)-5-methyl-2,3-dihydro-1-benzofuran-2-yl]methanamine.
What is the SMILES notation for [(2R)-7-(2,6-dichlorophenyl)-5-methyl-2,3-dihydro-1-benzofuran-2-yl]methanamine?
The canonical SMILES for [(2R)-7-(2,6-dichlorophenyl)-5-methyl-2,3-dihydro-1-benzofuran-2-yl]methanamine is Cc1cc2c(c(-c3c(Cl)cccc3Cl)c1)O[C@@H](CN)C2.
What is the InChIKey of [(2R)-7-(2,6-dichlorophenyl)-5-methyl-2,3-dihydro-1-benzofuran-2-yl]methanamine?
The InChIKey is HTVCYUUWRALFSN-LLVKDONJSA-N. The full InChI is InChI=1S/C16H15Cl2NO/c1-9-5-10-7-11(8-19)20-16(10)12(6-9)15-13(17)3-2-4-14(15)18/h2-6,11H,7-8,19H2,1H3/t11-/m1/s1.
What are the key properties of [(2R)-7-(2,6-dichlorophenyl)-5-methyl-2,3-dihydro-1-benzofuran-2-yl]methanamine?
[(2R)-7-(2,6-dichlorophenyl)-5-methyl-2,3-dihydro-1-benzofuran-2-yl]methanamine has a molecular weight of 308.21 g/mol, XLogP of 4.23, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-7-(2,6-dichlorophenyl)-5-methyl-2,3-dihydro-1-benzofuran-2-yl]methanamine is sourced from PubChem (CID 129364398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).