2-(2,3-dihydro-1-benzofuran-6-yl)-2-methylpropan-1-amine

C12H17NO — CID 105426380

IUPAC2-(2,3-dihydro-1-benzofuran-6-yl)-2-methylpropan-1-amine
SMILESCC(C)(CN)c1ccc2c(c1)OCC2
InChIInChI=1S/C12H17NO/c1-12(2,8-13)10-4-3-9-5-6-14-11(9)7-10/h3-4,7H,5-6,8,13H2,1-2H3
InChIKeyYPCVKUMXXXGGJZ-UHFFFAOYSA-N
MW191.27 g/mol
LogP1.86
Rot. Bonds2

About 2-(2,3-dihydro-1-benzofuran-6-yl)-2-methylpropan-1-amine

2-(2,3-dihydro-1-benzofuran-6-yl)-2-methylpropan-1-amine (PubChem CID 105426380) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 2-(2,3-dihydro-1-benzofuran-6-yl)-2-methylpropan-1-amine.

Molecular Properties

Compound Name2-(2,3-dihydro-1-benzofuran-6-yl)-2-methylpropan-1-amine
PubChem CID105426380
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name2-(2,3-dihydro-1-benzofuran-6-yl)-2-methylpropan-1-amine
SMILESCC(C)(CN)c1ccc2c(c1)OCC2
InChIInChI=1S/C12H17NO/c1-12(2,8-13)10-4-3-9-5-6-14-11(9)7-10/h3-4,7H,5-6,8,13H2,1-2H3
InChIKeyYPCVKUMXXXGGJZ-UHFFFAOYSA-N
XLogP1.86
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,4-dihydro-2H-chromen-7-yl)-2-methylpropan-1-amine
CID 105426400
1-amino-2-(2,3-dihydro-1-benzofuran-6-yl)propan-2-ol
CID 82401989
2-(2,3-dihydro-1-benzofuran-6-yl)-2-fluoropropan-1-amine
CID 105426382
3-(2,3-dihydro-1-benzofuran-5-yl)-3-methylbutan-1-amine
CID 22592399
2-(2,3-dihydro-1-benzofuran-5-yl)-2-methylpropane-1-thiol
CID 116866512
6-(2-isocyanatopropan-2-yl)-2,3-dihydro-1-benzofuran
CID 105455223
6-(2,2-dimethylpropyl)-2,3-dihydro-1-benzofuran
CID 59832132
methyl 2-(2,3-dihydro-1-benzofuran-6-yl)-2-methylpropanoate
CID 105475567
5-(4-chloro-2-methylbutan-2-yl)-2,3-dihydro-1-benzofuran
CID 79837255
1-N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-methylpropyl]-2-methylpropane-1,2-diamine
CID 115136364
2-(2,3-dihydro-1-benzofuran-6-yl)ethanamine
CID 82415104
6-ethyl-2,3-dihydro-1-benzofuran
CID 59981216

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1-benzofuran-6-yl)-2-methylpropan-1-amine?
The IUPAC name of 2-(2,3-dihydro-1-benzofuran-6-yl)-2-methylpropan-1-amine (CID 105426380) is 2-(2,3-dihydro-1-benzofuran-6-yl)-2-methylpropan-1-amine.
What is the SMILES notation for 2-(2,3-dihydro-1-benzofuran-6-yl)-2-methylpropan-1-amine?
The canonical SMILES for 2-(2,3-dihydro-1-benzofuran-6-yl)-2-methylpropan-1-amine is CC(C)(CN)c1ccc2c(c1)OCC2.
What is the InChIKey of 2-(2,3-dihydro-1-benzofuran-6-yl)-2-methylpropan-1-amine?
The InChIKey is YPCVKUMXXXGGJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-12(2,8-13)10-4-3-9-5-6-14-11(9)7-10/h3-4,7H,5-6,8,13H2,1-2H3.
What are the key properties of 2-(2,3-dihydro-1-benzofuran-6-yl)-2-methylpropan-1-amine?
2-(2,3-dihydro-1-benzofuran-6-yl)-2-methylpropan-1-amine has a molecular weight of 191.27 g/mol, XLogP of 1.86, 2 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-6-yl)-2-methylpropan-1-amine is sourced from PubChem (CID 105426380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).