N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)propan-2-amine

C12H17NS — CID 79212606

IUPACN-(2,3-dihydro-1-benzothiophen-3-ylmethyl)propan-2-amine
SMILESCC(C)NCC1CSc2ccccc21
InChIInChI=1S/C12H17NS/c1-9(2)13-7-10-8-14-12-6-4-3-5-11(10)12/h3-6,9-10,13H,7-8H2,1-2H3
InChIKeyLAKAHUGQAZJLIL-UHFFFAOYSA-N
MW207.34 g/mol
LogP2.87
Rot. Bonds3

About N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)propan-2-amine

N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)propan-2-amine (PubChem CID 79212606) has the molecular formula C12H17NS and a molecular weight of 207.34 g/mol. Its IUPAC name is N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)propan-2-amine.

Molecular Properties

Compound NameN-(2,3-dihydro-1-benzothiophen-3-ylmethyl)propan-2-amine
PubChem CID79212606
Molecular FormulaC12H17NS
Molecular Weight207.34 g/mol
Exact Mass207.11
IUPAC NameN-(2,3-dihydro-1-benzothiophen-3-ylmethyl)propan-2-amine
SMILESCC(C)NCC1CSc2ccccc21
InChIInChI=1S/C12H17NS/c1-9(2)13-7-10-8-14-12-6-4-3-5-11(10)12/h3-6,9-10,13H,7-8H2,1-2H3
InChIKeyLAKAHUGQAZJLIL-UHFFFAOYSA-N
XLogP2.87
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.34
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-chloro-N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-3-methylbutan-2-amine
CID 79244267
N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-6-methylheptan-2-amine
CID 79220614
2-N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-1-N-ethylpropane-1,2-diamine
CID 113407264
2-chloro-N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)propan-1-amine
CID 79227011
N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-1-methoxy-3-methylbutan-2-amine
CID 79220704
N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-1-pyridin-2-ylethanamine
CID 79221155
N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-1-(4-methoxyphenyl)ethanamine
CID 79206268
1-(2,3-dihydro-1-benzothiophen-3-ylmethylamino)propan-2-ol
CID 79220843
N-[[1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)cyclohexyl]methyl]propan-2-amine
CID 79215623
3-chloro-N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)butan-1-amine
CID 79226615
N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-2-phenylpropan-1-amine
CID 104591357
N-[[1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)piperidin-2-yl]methyl]propan-2-amine
CID 79214950

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)propan-2-amine?
The IUPAC name of N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)propan-2-amine (CID 79212606) is N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)propan-2-amine.
What is the SMILES notation for N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)propan-2-amine?
The canonical SMILES for N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)propan-2-amine is CC(C)NCC1CSc2ccccc21.
What is the InChIKey of N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)propan-2-amine?
The InChIKey is LAKAHUGQAZJLIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NS/c1-9(2)13-7-10-8-14-12-6-4-3-5-11(10)12/h3-6,9-10,13H,7-8H2,1-2H3.
What are the key properties of N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)propan-2-amine?
N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)propan-2-amine has a molecular weight of 207.34 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)propan-2-amine is sourced from PubChem (CID 79212606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).