1-(2,5-dimethyl-2,3-dihydro-1-benzothiophen-3-yl)ethanamine

C12H17NS — CID 83909123

IUPAC1-(2,5-dimethyl-2,3-dihydro-1-benzothiophen-3-yl)ethanamine
SMILESCc1ccc2c(c1)C(C(C)N)C(C)S2
InChIInChI=1S/C12H17NS/c1-7-4-5-11-10(6-7)12(8(2)13)9(3)14-11/h4-6,8-9,12H,13H2,1-3H3
InChIKeyNXKZKBDAZUDBMS-UHFFFAOYSA-N
MW207.34 g/mol
LogP2.92
Rot. Bonds1

About 1-(2,5-dimethyl-2,3-dihydro-1-benzothiophen-3-yl)ethanamine

1-(2,5-dimethyl-2,3-dihydro-1-benzothiophen-3-yl)ethanamine (PubChem CID 83909123) has the molecular formula C12H17NS and a molecular weight of 207.34 g/mol. Its IUPAC name is 1-(2,5-dimethyl-2,3-dihydro-1-benzothiophen-3-yl)ethanamine.

Molecular Properties

Compound Name1-(2,5-dimethyl-2,3-dihydro-1-benzothiophen-3-yl)ethanamine
PubChem CID83909123
Molecular FormulaC12H17NS
Molecular Weight207.34 g/mol
Exact Mass207.11
IUPAC Name1-(2,5-dimethyl-2,3-dihydro-1-benzothiophen-3-yl)ethanamine
SMILESCc1ccc2c(c1)C(C(C)N)C(C)S2
InChIInChI=1S/C12H17NS/c1-7-4-5-11-10(6-7)12(8(2)13)9(3)14-11/h4-6,8-9,12H,13H2,1-3H3
InChIKeyNXKZKBDAZUDBMS-UHFFFAOYSA-N
XLogP2.92
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.34
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,2,3,6-tetramethyl-3,4-dihydro-2H-thiochromen-4-amine
CID 79414864
1-(2,6-dimethyl-2,3-dihydro-1-benzofuran-3-yl)ethanamine
CID 83907388
N-ethyl-2,6-dimethyl-3,4-dihydro-2H-thiochromen-4-amine
CID 43539077
3,5-dimethyl-2,3-dihydro-1,2-benzothiazole
CID 58047185
2,6,9,10-tetramethyl-9,10-dihydroanthracene
CID 140827349
(4S)-6-methyl-3,4-dihydro-2H-thiochromen-4-amine
CID 51885338
(4R)-6-methyl-3,4-dihydro-2H-thiochromen-4-amine
CID 51885336
1-(5-methyl-2,3-dihydro-1-benzothiophen-3-yl)propan-2-ol
CID 117201801
3,6-dimethyl-3H-2-benzothiophen-1-one
CID 122484836
5-methyl-2-[4-(5-methyl-1,3-benzodithiol-2-yl)phenyl]-1,3-benzodithiole
CID 4613767
(1R,9R)-4,12-dimethyl-17-(2-phenylethyl)-8,16-dithia-17-azatetracyclo[7.7.1.02,7.010,15]heptadeca-2(7),3,5,10(15),11,13-hexaene
CID 100959775
3,5-dimethyl-2,3-dihydro-1H-inden-1-amine
CID 23008934

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethyl-2,3-dihydro-1-benzothiophen-3-yl)ethanamine?
The IUPAC name of 1-(2,5-dimethyl-2,3-dihydro-1-benzothiophen-3-yl)ethanamine (CID 83909123) is 1-(2,5-dimethyl-2,3-dihydro-1-benzothiophen-3-yl)ethanamine.
What is the SMILES notation for 1-(2,5-dimethyl-2,3-dihydro-1-benzothiophen-3-yl)ethanamine?
The canonical SMILES for 1-(2,5-dimethyl-2,3-dihydro-1-benzothiophen-3-yl)ethanamine is Cc1ccc2c(c1)C(C(C)N)C(C)S2.
What is the InChIKey of 1-(2,5-dimethyl-2,3-dihydro-1-benzothiophen-3-yl)ethanamine?
The InChIKey is NXKZKBDAZUDBMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NS/c1-7-4-5-11-10(6-7)12(8(2)13)9(3)14-11/h4-6,8-9,12H,13H2,1-3H3.
What are the key properties of 1-(2,5-dimethyl-2,3-dihydro-1-benzothiophen-3-yl)ethanamine?
1-(2,5-dimethyl-2,3-dihydro-1-benzothiophen-3-yl)ethanamine has a molecular weight of 207.34 g/mol, XLogP of 2.92, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethyl-2,3-dihydro-1-benzothiophen-3-yl)ethanamine is sourced from PubChem (CID 83909123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).