2-methyl-2,3-dihydro-1-benzofuran-5-amine;methyl formate

C11H15NO3 — CID 142030949

IUPAC2-methyl-2,3-dihydro-1-benzofuran-5-amine;methyl formate
SMILESCC1Cc2cc(N)ccc2O1.COC=O
InChIInChI=1S/C9H11NO.C2H4O2/c1-6-4-7-5-8(10)2-3-9(7)11-6;1-4-2-3/h2-3,5-6H,4,10H2,1H3;2H,1H3
InChIKeyUDKKDANIWYXFCA-UHFFFAOYSA-N
MW209.24 g/mol
LogP1.38
Rot. Bonds1

About 2-methyl-2,3-dihydro-1-benzofuran-5-amine;methyl formate

2-methyl-2,3-dihydro-1-benzofuran-5-amine;methyl formate (PubChem CID 142030949) has the molecular formula C11H15NO3 and a molecular weight of 209.24 g/mol. Its IUPAC name is 2-methyl-2,3-dihydro-1-benzofuran-5-amine;methyl formate.

Molecular Properties

Compound Name2-methyl-2,3-dihydro-1-benzofuran-5-amine;methyl formate
PubChem CID142030949
Molecular FormulaC11H15NO3
Molecular Weight209.24 g/mol
Exact Mass209.11
IUPAC Name2-methyl-2,3-dihydro-1-benzofuran-5-amine;methyl formate
SMILESCC1Cc2cc(N)ccc2O1.COC=O
InChIInChI=1S/C9H11NO.C2H4O2/c1-6-4-7-5-8(10)2-3-9(7)11-6;1-4-2-3/h2-3,5-6H,4,10H2,1H3;2H,1H3
InChIKeyUDKKDANIWYXFCA-UHFFFAOYSA-N
XLogP1.38
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.24
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-methyl-2,3-dihydro-1-benzofuran-5-carboxylate
CID 7106477
2,2-dimethylpropane;ethane;(2R)-2-methyl-3,4-dihydro-2H-chromen-6-amine
CID 142100009
(2R)-5-iodo-2-methyl-2,3-dihydro-1-benzofuran
CID 176929787
(2S)-5-bromo-2-methyl-2,3-dihydro-1-benzofuran
CID 93279299
5-bromo-2-methyl-2,3-dihydro-1-benzofuran
CID 13301601
ethyl 2-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-2-oxoacetate
CID 55017028
(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidenehydrazine
CID 168530150
2-methyl-2,3-dihydro-1-benzofuran-5-sulfonyl fluoride
CID 165460112
(3-methoxyphenyl)-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanone
CID 43297098
2-fluoro-4-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)benzaldehyde
CID 54910085
cyclopropane;2,5-dimethyl-2,3-dihydro-1-benzofuran;ethane
CID 145338226
2,5-dimethyl-2,3-dihydro-1-benzofuran;ethane;propane
CID 145338242

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2,3-dihydro-1-benzofuran-5-amine;methyl formate?
The IUPAC name of 2-methyl-2,3-dihydro-1-benzofuran-5-amine;methyl formate (CID 142030949) is 2-methyl-2,3-dihydro-1-benzofuran-5-amine;methyl formate.
What is the SMILES notation for 2-methyl-2,3-dihydro-1-benzofuran-5-amine;methyl formate?
The canonical SMILES for 2-methyl-2,3-dihydro-1-benzofuran-5-amine;methyl formate is CC1Cc2cc(N)ccc2O1.COC=O.
What is the InChIKey of 2-methyl-2,3-dihydro-1-benzofuran-5-amine;methyl formate?
The InChIKey is UDKKDANIWYXFCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO.C2H4O2/c1-6-4-7-5-8(10)2-3-9(7)11-6;1-4-2-3/h2-3,5-6H,4,10H2,1H3;2H,1H3.
What are the key properties of 2-methyl-2,3-dihydro-1-benzofuran-5-amine;methyl formate?
2-methyl-2,3-dihydro-1-benzofuran-5-amine;methyl formate has a molecular weight of 209.24 g/mol, XLogP of 1.38, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2,3-dihydro-1-benzofuran-5-amine;methyl formate is sourced from PubChem (CID 142030949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).