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

C17H19NO — CID 129395361

IUPAC[(2R)-5-methyl-7-(2-methylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine
SMILESCc1cc2c(c(-c3ccccc3C)c1)O[C@@H](CN)C2
InChIInChI=1S/C17H19NO/c1-11-7-13-9-14(10-18)19-17(13)16(8-11)15-6-4-3-5-12(15)2/h3-8,14H,9-10,18H2,1-2H3/t14-/m1/s1
InChIKeySAAZNHPTROWQFT-CQSZACIVSA-N
MW253.34 g/mol
LogP3.23
Rot. Bonds2

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

[(2R)-5-methyl-7-(2-methylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine (PubChem CID 129395361) has the molecular formula C17H19NO and a molecular weight of 253.34 g/mol. Its IUPAC name is [(2R)-5-methyl-7-(2-methylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine.

Molecular Properties

Compound Name[(2R)-5-methyl-7-(2-methylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine
PubChem CID129395361
Molecular FormulaC17H19NO
Molecular Weight253.34 g/mol
Exact Mass253.15
IUPAC Name[(2R)-5-methyl-7-(2-methylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine
SMILESCc1cc2c(c(-c3ccccc3C)c1)O[C@@H](CN)C2
InChIInChI=1S/C17H19NO/c1-11-7-13-9-14(10-18)19-17(13)16(8-11)15-6-4-3-5-12(15)2/h3-8,14H,9-10,18H2,1-2H3/t14-/m1/s1
InChIKeySAAZNHPTROWQFT-CQSZACIVSA-N
XLogP3.23
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(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
[(2S)-5-methyl-7-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 125178415
[(2R)-7-(2,6-dichlorophenyl)-5-methyl-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 129364398
(5-methyl-7-thiophen-2-yl-2,3-dihydro-1-benzofuran-2-yl)methanamine
CID 56707530
[(2R)-5-methyl-7-thiophen-2-yl-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 95206107
(5-methyl-7-quinolin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methanamine
CID 56711820
[7-fluoro-5-(2-methylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 68961723
[7-(2,6-dimethylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 11960767
[(2R)-7-(2,6-dimethylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 129383306
[7-(1,3-benzothiazol-2-yl)-5-methyl-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 118759021
[(2S)-5-chloro-7-(2,6-dimethylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 129384142

Frequently Asked Questions

What is the IUPAC name of [(2R)-5-methyl-7-(2-methylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine?
The IUPAC name of [(2R)-5-methyl-7-(2-methylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine (CID 129395361) is [(2R)-5-methyl-7-(2-methylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine.
What is the SMILES notation for [(2R)-5-methyl-7-(2-methylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine?
The canonical SMILES for [(2R)-5-methyl-7-(2-methylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine is Cc1cc2c(c(-c3ccccc3C)c1)O[C@@H](CN)C2.
What is the InChIKey of [(2R)-5-methyl-7-(2-methylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine?
The InChIKey is SAAZNHPTROWQFT-CQSZACIVSA-N. The full InChI is InChI=1S/C17H19NO/c1-11-7-13-9-14(10-18)19-17(13)16(8-11)15-6-4-3-5-12(15)2/h3-8,14H,9-10,18H2,1-2H3/t14-/m1/s1.
What are the key properties of [(2R)-5-methyl-7-(2-methylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine?
[(2R)-5-methyl-7-(2-methylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine has a molecular weight of 253.34 g/mol, XLogP of 3.23, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-5-methyl-7-(2-methylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine is sourced from PubChem (CID 129395361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).