(2-amino-5-methylphenyl)-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanone

C17H17NO2 — CID 65454365

IUPAC(2-amino-5-methylphenyl)-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanone
SMILESCc1ccc(N)c(C(=O)c2ccc3c(c2)CC(C)O3)c1
InChIInChI=1S/C17H17NO2/c1-10-3-5-15(18)14(7-10)17(19)12-4-6-16-13(9-12)8-11(2)20-16/h3-7,9,11H,8,18H2,1-2H3
InChIKeyIMYCOLIXXLAOPK-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.13
Rot. Bonds2

About (2-amino-5-methylphenyl)-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanone

(2-amino-5-methylphenyl)-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanone (PubChem CID 65454365) has the molecular formula C17H17NO2 and a molecular weight of 267.33 g/mol. Its IUPAC name is (2-amino-5-methylphenyl)-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanone.

Molecular Properties

Compound Name(2-amino-5-methylphenyl)-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanone
PubChem CID65454365
Molecular FormulaC17H17NO2
Molecular Weight267.33 g/mol
Exact Mass267.13
IUPAC Name(2-amino-5-methylphenyl)-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanone
SMILESCc1ccc(N)c(C(=O)c2ccc3c(c2)CC(C)O3)c1
InChIInChI=1S/C17H17NO2/c1-10-3-5-15(18)14(7-10)17(19)12-4-6-16-13(9-12)8-11(2)20-16/h3-7,9,11H,8,18H2,1-2H3
InChIKeyIMYCOLIXXLAOPK-UHFFFAOYSA-N
XLogP3.13
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anthranil_one_A(38)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(2-methyl-2,3-dihydro-1-benzofuran-5-carbonyl)benzoic acid
CID 43297113
(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-(2,4,6-trimethylphenyl)methanone
CID 43297079
(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-(4-methylthiophen-3-yl)methanone
CID 79803151
(3-bromo-4-methylphenyl)-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanone
CID 81471610
(2R)-2-methyl-N-(3-methylphenyl)-2,3-dihydro-1-benzofuran-5-carboxamide
CID 27210785
(2,4-difluorophenyl)-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanone
CID 43297091
(3-chlorophenyl)-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanone
CID 43297105
(2S)-2-methyl-2,3-dihydro-1-benzofuran-5-carboxylate
CID 7106477
(4-bromo-3-fluorophenyl)-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanone
CID 63491672
1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-2-(4-methylphenyl)ethanone
CID 43297030
(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-(3-methylfuran-2-yl)methanone
CID 43463835
(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-(2,2,3,3-tetramethylcyclopropyl)methanone
CID 66476480

Frequently Asked Questions

What is the IUPAC name of (2-amino-5-methylphenyl)-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanone?
The IUPAC name of (2-amino-5-methylphenyl)-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanone (CID 65454365) is (2-amino-5-methylphenyl)-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanone.
What is the SMILES notation for (2-amino-5-methylphenyl)-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanone?
The canonical SMILES for (2-amino-5-methylphenyl)-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanone is Cc1ccc(N)c(C(=O)c2ccc3c(c2)CC(C)O3)c1.
What is the InChIKey of (2-amino-5-methylphenyl)-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanone?
The InChIKey is IMYCOLIXXLAOPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO2/c1-10-3-5-15(18)14(7-10)17(19)12-4-6-16-13(9-12)8-11(2)20-16/h3-7,9,11H,8,18H2,1-2H3.
What are the key properties of (2-amino-5-methylphenyl)-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanone?
(2-amino-5-methylphenyl)-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanone has a molecular weight of 267.33 g/mol, XLogP of 3.13, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-5-methylphenyl)-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanone is sourced from PubChem (CID 65454365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).