2-(2,3-dihydro-1-benzofuran-5-yl)-5-methylaniline

C15H15NO — CID 82766457

IUPAC2-(2,3-dihydro-1-benzofuran-5-yl)-5-methylaniline
SMILESCc1ccc(-c2ccc3c(c2)CCO3)c(N)c1
InChIInChI=1S/C15H15NO/c1-10-2-4-13(14(16)8-10)11-3-5-15-12(9-11)6-7-17-15/h2-5,8-9H,6-7,16H2,1H3
InChIKeyDSLWGJYTQQJGID-UHFFFAOYSA-N
MW225.29 g/mol
LogP3.18
Rot. Bonds1

About 2-(2,3-dihydro-1-benzofuran-5-yl)-5-methylaniline

2-(2,3-dihydro-1-benzofuran-5-yl)-5-methylaniline (PubChem CID 82766457) has the molecular formula C15H15NO and a molecular weight of 225.29 g/mol. Its IUPAC name is 2-(2,3-dihydro-1-benzofuran-5-yl)-5-methylaniline.

Molecular Properties

Compound Name2-(2,3-dihydro-1-benzofuran-5-yl)-5-methylaniline
PubChem CID82766457
Molecular FormulaC15H15NO
Molecular Weight225.29 g/mol
Exact Mass225.12
IUPAC Name2-(2,3-dihydro-1-benzofuran-5-yl)-5-methylaniline
SMILESCc1ccc(-c2ccc3c(c2)CCO3)c(N)c1
InChIInChI=1S/C15H15NO/c1-10-2-4-13(14(16)8-10)11-3-5-15-12(9-11)6-7-17-15/h2-5,8-9H,6-7,16H2,1H3
InChIKeyDSLWGJYTQQJGID-UHFFFAOYSA-N
XLogP3.18
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methylaniline
CID 82766369
5-methyl-2,3-dihydro-1-benzofuran
CID 12725190
ethane;5-methyl-2,3-dihydro-1-benzofuran;propane
CID 145162253
4-(2,3-dihydro-1-benzofuran-5-yl)-2-ethylaniline
CID 81287575
3-(2,3-dihydro-1-benzofuran-5-yl)-2-methylpyridine
CID 122202103
ethyl 2-amino-6-(2,3-dihydro-1-benzofuran-5-yl)benzoate
CID 83142809
2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]-5-methylaniline
CID 65430830
2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethylsulfinyl]-5-methylaniline
CID 81176495
5-(4-methylphenyl)sulfonyl-2,3-dihydro-1-benzofuran
CID 23543562
4-(2,3-dihydro-1-benzofuran-5-yl)-2H-furan-5-one
CID 70061931
ethane;7-methyl-2,3,4,5-tetrahydro-1-benzoxepine
CID 143911353
1-N-(3,4-dihydro-2H-chromen-6-yl)-1-N,4-dimethylbenzene-1,2-diamine
CID 115125003

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1-benzofuran-5-yl)-5-methylaniline?
The IUPAC name of 2-(2,3-dihydro-1-benzofuran-5-yl)-5-methylaniline (CID 82766457) is 2-(2,3-dihydro-1-benzofuran-5-yl)-5-methylaniline.
What is the SMILES notation for 2-(2,3-dihydro-1-benzofuran-5-yl)-5-methylaniline?
The canonical SMILES for 2-(2,3-dihydro-1-benzofuran-5-yl)-5-methylaniline is Cc1ccc(-c2ccc3c(c2)CCO3)c(N)c1.
What is the InChIKey of 2-(2,3-dihydro-1-benzofuran-5-yl)-5-methylaniline?
The InChIKey is DSLWGJYTQQJGID-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO/c1-10-2-4-13(14(16)8-10)11-3-5-15-12(9-11)6-7-17-15/h2-5,8-9H,6-7,16H2,1H3.
What are the key properties of 2-(2,3-dihydro-1-benzofuran-5-yl)-5-methylaniline?
2-(2,3-dihydro-1-benzofuran-5-yl)-5-methylaniline has a molecular weight of 225.29 g/mol, XLogP of 3.18, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1-benzofuran-5-yl)-5-methylaniline is sourced from PubChem (CID 82766457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).