2-(3,3-dimethyl-2H-1-benzofuran-5-yl)ethanamine

C12H17NO — CID 82604219

IUPAC2-(3,3-dimethyl-2H-1-benzofuran-5-yl)ethanamine
SMILESCC1(C)COc2ccc(CCN)cc21
InChIInChI=1S/C12H17NO/c1-12(2)8-14-11-4-3-9(5-6-13)7-10(11)12/h3-4,7H,5-6,8,13H2,1-2H3
InChIKeyRJHHRHVWYJKIPB-UHFFFAOYSA-N
MW191.27 g/mol
LogP1.86
Rot. Bonds2

About 2-(3,3-dimethyl-2H-1-benzofuran-5-yl)ethanamine

2-(3,3-dimethyl-2H-1-benzofuran-5-yl)ethanamine (PubChem CID 82604219) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 2-(3,3-dimethyl-2H-1-benzofuran-5-yl)ethanamine.

Molecular Properties

Compound Name2-(3,3-dimethyl-2H-1-benzofuran-5-yl)ethanamine
PubChem CID82604219
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name2-(3,3-dimethyl-2H-1-benzofuran-5-yl)ethanamine
SMILESCC1(C)COc2ccc(CCN)cc21
InChIInChI=1S/C12H17NO/c1-12(2)8-14-11-4-3-9(5-6-13)7-10(11)12/h3-4,7H,5-6,8,13H2,1-2H3
InChIKeyRJHHRHVWYJKIPB-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

4-(3,3-dimethyl-2H-1-benzofuran-5-yl)-N-ethylbutan-1-amine
CID 107294643
4-(3,3-dimethyl-2H-1-benzofuran-5-yl)-N-(2-methylpropyl)butan-1-amine
CID 107294634
N-[2-[2-(3,3-dimethyl-2H-1-benzofuran-5-yl)ethoxy]ethyl]-2-methylpropan-2-amine
CID 107294645
N-[5-(3,3-dimethyl-2H-1-benzofuran-5-yl)-3-methylpentyl]cyclopropanamine
CID 107294650
3-(3,3-dimethyl-2,4-dihydro-1,5-benzodioxepin-7-yl)propan-1-amine
CID 117343367
[5-(3,3-dimethyl-2H-1-benzofuran-5-yl)furan-2-yl]methanamine
CID 107293956
[4-[2-(3,3-dimethyl-2H-1-benzofuran-5-yl)ethyl]-2-(methoxymethoxy)phenyl]methanol
CID 58047430
2-(4,4-dimethyl-2,3-dihydrochromen-6-yl)ethanol
CID 67687808
4-(3,3-dimethyl-2H-1-benzofuran-5-yl)-2-fluoroaniline
CID 107293917
1-(3,3-dimethyl-2H-1-benzofuran-5-yl)propan-1-amine
CID 107293478
1-(3,3-dimethyl-2H-1-benzofuran-5-yl)butane-2-sulfonic acid
CID 154161287
1-(3,3-dimethyl-2H-1-benzofuran-5-yl)-2-(4-fluorophenyl)ethanamine
CID 107293570

Frequently Asked Questions

What is the IUPAC name of 2-(3,3-dimethyl-2H-1-benzofuran-5-yl)ethanamine?
The IUPAC name of 2-(3,3-dimethyl-2H-1-benzofuran-5-yl)ethanamine (CID 82604219) is 2-(3,3-dimethyl-2H-1-benzofuran-5-yl)ethanamine.
What is the SMILES notation for 2-(3,3-dimethyl-2H-1-benzofuran-5-yl)ethanamine?
The canonical SMILES for 2-(3,3-dimethyl-2H-1-benzofuran-5-yl)ethanamine is CC1(C)COc2ccc(CCN)cc21.
What is the InChIKey of 2-(3,3-dimethyl-2H-1-benzofuran-5-yl)ethanamine?
The InChIKey is RJHHRHVWYJKIPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-12(2)8-14-11-4-3-9(5-6-13)7-10(11)12/h3-4,7H,5-6,8,13H2,1-2H3.
What are the key properties of 2-(3,3-dimethyl-2H-1-benzofuran-5-yl)ethanamine?
2-(3,3-dimethyl-2H-1-benzofuran-5-yl)ethanamine 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-(3,3-dimethyl-2H-1-benzofuran-5-yl)ethanamine is sourced from PubChem (CID 82604219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).