1-(2,6-dimethyl-2,3-dihydro-1-benzofuran-3-yl)ethanamine

C12H17NO — CID 83907388

IUPAC1-(2,6-dimethyl-2,3-dihydro-1-benzofuran-3-yl)ethanamine
SMILESCc1ccc2c(c1)OC(C)C2C(C)N
InChIInChI=1S/C12H17NO/c1-7-4-5-10-11(6-7)14-9(3)12(10)8(2)13/h4-6,8-9,12H,13H2,1-3H3
InChIKeyOPMAXSDIOIFQEW-UHFFFAOYSA-N
MW191.27 g/mol
LogP2.21
Rot. Bonds1

About 1-(2,6-dimethyl-2,3-dihydro-1-benzofuran-3-yl)ethanamine

1-(2,6-dimethyl-2,3-dihydro-1-benzofuran-3-yl)ethanamine (PubChem CID 83907388) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 1-(2,6-dimethyl-2,3-dihydro-1-benzofuran-3-yl)ethanamine.

Molecular Properties

Compound Name1-(2,6-dimethyl-2,3-dihydro-1-benzofuran-3-yl)ethanamine
PubChem CID83907388
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name1-(2,6-dimethyl-2,3-dihydro-1-benzofuran-3-yl)ethanamine
SMILESCc1ccc2c(c1)OC(C)C2C(C)N
InChIInChI=1S/C12H17NO/c1-7-4-5-10-11(6-7)14-9(3)12(10)8(2)13/h4-6,8-9,12H,13H2,1-3H3
InChIKeyOPMAXSDIOIFQEW-UHFFFAOYSA-N
XLogP2.21
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,6-dimethyl-2,3-dihydro-1-benzofuran-3-ol
CID 13013063
1-(2,5-dimethyl-2,3-dihydro-1-benzothiophen-3-yl)ethanamine
CID 83909123
2-tert-butyl-3,6-dimethyl-2,3-dihydro-1-benzofuran
CID 126549100
(2,5-dimethyl-2,3-dihydro-1-benzofuran-3-yl)methanamine
CID 83906205
ethane;2,3,4,7-tetramethyl-2,3-dihydro-1,4-benzoxazine
CID 91294862
6-methyl-3-propan-2-yl-2,3-dihydro-1-benzofuran
CID 163396140
6-methyl-2,3,4,4a,9,9a-hexahydro-1H-xanthen-9-amine
CID 155464717
3,6,8-trimethyl-6H-benzo[c]chromene
CID 59449406
1-(6-methyl-2,3-dihydro-1-benzofuran-2-yl)propan-2-amine
CID 117202827
2,6,9,10-tetramethyl-9,10-dihydroanthracene
CID 140827349
7-methyl-4-(7-methyl-2-oxo-3,4-dihydrochromen-4-yl)-3,4-dihydrochromen-2-one
CID 122394788
4-methyl-1-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)pentan-2-amine
CID 66394102

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethyl-2,3-dihydro-1-benzofuran-3-yl)ethanamine?
The IUPAC name of 1-(2,6-dimethyl-2,3-dihydro-1-benzofuran-3-yl)ethanamine (CID 83907388) is 1-(2,6-dimethyl-2,3-dihydro-1-benzofuran-3-yl)ethanamine.
What is the SMILES notation for 1-(2,6-dimethyl-2,3-dihydro-1-benzofuran-3-yl)ethanamine?
The canonical SMILES for 1-(2,6-dimethyl-2,3-dihydro-1-benzofuran-3-yl)ethanamine is Cc1ccc2c(c1)OC(C)C2C(C)N.
What is the InChIKey of 1-(2,6-dimethyl-2,3-dihydro-1-benzofuran-3-yl)ethanamine?
The InChIKey is OPMAXSDIOIFQEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-7-4-5-10-11(6-7)14-9(3)12(10)8(2)13/h4-6,8-9,12H,13H2,1-3H3.
What are the key properties of 1-(2,6-dimethyl-2,3-dihydro-1-benzofuran-3-yl)ethanamine?
1-(2,6-dimethyl-2,3-dihydro-1-benzofuran-3-yl)ethanamine has a molecular weight of 191.27 g/mol, XLogP of 2.21, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethyl-2,3-dihydro-1-benzofuran-3-yl)ethanamine is sourced from PubChem (CID 83907388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).