[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methylazanium

C12H18NO2+ — CID 7129379

IUPAC[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methylazanium
SMILESCCOc1cc2c(cc1C[NH3+])O[C@H](C)C2
InChIInChI=1S/C12H17NO2/c1-3-14-11-5-9-4-8(2)15-12(9)6-10(11)7-13/h5-6,8H,3-4,7,13H2,1-2H3/p+1/t8-/m1/s1
InChIKeyGFCXVYPLOCEWFJ-MRVPVSSYSA-O
MW208.28 g/mol
LogP1.15
Rot. Bonds3

About [(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methylazanium

[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methylazanium (PubChem CID 7129379) has the molecular formula C12H18NO2+ and a molecular weight of 208.28 g/mol. Its IUPAC name is [(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methylazanium.

Molecular Properties

Compound Name[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methylazanium
PubChem CID7129379
Molecular FormulaC12H18NO2+
Molecular Weight208.28 g/mol
Exact Mass208.13
IUPAC Name[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methylazanium
SMILESCCOc1cc2c(cc1C[NH3+])O[C@H](C)C2
InChIInChI=1S/C12H17NO2/c1-3-14-11-5-9-4-8(2)15-12(9)6-10(11)7-13/h5-6,8H,3-4,7,13H2,1-2H3/p+1/t8-/m1/s1
InChIKeyGFCXVYPLOCEWFJ-MRVPVSSYSA-O
XLogP1.15
TPSA46.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.28
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methylazanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl methanesulfonate
CID 102620688
2-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]guanidine;hydroiodide
CID 110884474
N-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]-3-methylcyclobutan-1-amine
CID 115671604
N-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]aniline
CID 43189981
N-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]-2,2-dimethoxyethanamine
CID 60657411
1-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-N-[(1-methylcyclopropyl)methyl]methanamine
CID 103724341
2-[cyclopropyl-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]amino]ethanol
CID 110935869
N-[[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]cyclopropanecarboxamide
CID 8934556
2-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methylamino]butan-1-ol
CID 43183054
(2S)-2-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methylamino]-3-methylbutan-1-ol
CID 79237248
4-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methylamino]cyclohexan-1-ol
CID 110878800
N-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]cyclopropanecarboxamide
CID 8934557

Frequently Asked Questions

What is the IUPAC name of [(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methylazanium?
The IUPAC name of [(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methylazanium (CID 7129379) is [(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methylazanium.
What is the SMILES notation for [(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methylazanium?
The canonical SMILES for [(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methylazanium is CCOc1cc2c(cc1C[NH3+])O[C@H](C)C2.
What is the InChIKey of [(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methylazanium?
The InChIKey is GFCXVYPLOCEWFJ-MRVPVSSYSA-O. The full InChI is InChI=1S/C12H17NO2/c1-3-14-11-5-9-4-8(2)15-12(9)6-10(11)7-13/h5-6,8H,3-4,7,13H2,1-2H3/p+1/t8-/m1/s1.
What are the key properties of [(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methylazanium?
[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methylazanium has a molecular weight of 208.28 g/mol, XLogP of 1.15, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methylazanium is sourced from PubChem (CID 7129379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).