1-(4-methoxy-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)propan-2-amine

C12H19NOS — CID 83985498

IUPAC1-(4-methoxy-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)propan-2-amine
SMILESCOC1CCCc2sc(CC(C)N)cc21
InChIInChI=1S/C12H19NOS/c1-8(13)6-9-7-10-11(14-2)4-3-5-12(10)15-9/h7-8,11H,3-6,13H2,1-2H3
InChIKeyOYWDJVRFMIVOKY-UHFFFAOYSA-N
MW225.36 g/mol
LogP2.66
Rot. Bonds3

About 1-(4-methoxy-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)propan-2-amine

1-(4-methoxy-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)propan-2-amine (PubChem CID 83985498) has the molecular formula C12H19NOS and a molecular weight of 225.36 g/mol. Its IUPAC name is 1-(4-methoxy-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)propan-2-amine.

Molecular Properties

Compound Name1-(4-methoxy-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)propan-2-amine
PubChem CID83985498
Molecular FormulaC12H19NOS
Molecular Weight225.36 g/mol
Exact Mass225.12
IUPAC Name1-(4-methoxy-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)propan-2-amine
SMILESCOC1CCCc2sc(CC(C)N)cc21
InChIInChI=1S/C12H19NOS/c1-8(13)6-9-7-10-11(14-2)4-3-5-12(10)15-9/h7-8,11H,3-6,13H2,1-2H3
InChIKeyOYWDJVRFMIVOKY-UHFFFAOYSA-N
XLogP2.66
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.36
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(7S)-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl]ethanamine
CID 67258500
[2-(trifluoromethyl)-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl]methanamine
CID 53237588
ethane;[2-(trifluoromethyl)-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl]methanamine
CID 142603310
1-(4-Fluorophenyl)-1-(thiophen-2-ylmethoxy)propan-2-amine
CID 55014934
1-(4-Fluorophenyl)-1-(thiophen-2-ylmethoxy)butan-2-amine
CID 55014981
1-(4-Fluorophenyl)-1-(2-thiophen-2-ylethoxy)propan-2-amine
CID 55014983
1-(2-Fluorophenyl)-1-(thiophen-2-ylmethoxy)propan-2-amine
CID 55019088
1-(2-Fluorophenyl)-1-(thiophen-2-ylmethoxy)butan-2-amine
CID 55019135
1-(2-Fluorophenyl)-1-(2-thiophen-2-ylethoxy)propan-2-amine
CID 55019137
1-(3-Fluorophenyl)-1-(thiophen-2-ylmethoxy)propan-2-amine
CID 55019874
1-(3-Fluorophenyl)-1-(thiophen-2-ylmethoxy)butan-2-amine
CID 55019920
1-(3-Fluorophenyl)-1-(2-thiophen-2-ylethoxy)propan-2-amine
CID 55019922

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)propan-2-amine?
The IUPAC name of 1-(4-methoxy-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)propan-2-amine (CID 83985498) is 1-(4-methoxy-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)propan-2-amine.
What is the SMILES notation for 1-(4-methoxy-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)propan-2-amine?
The canonical SMILES for 1-(4-methoxy-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)propan-2-amine is COC1CCCc2sc(CC(C)N)cc21.
What is the InChIKey of 1-(4-methoxy-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)propan-2-amine?
The InChIKey is OYWDJVRFMIVOKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NOS/c1-8(13)6-9-7-10-11(14-2)4-3-5-12(10)15-9/h7-8,11H,3-6,13H2,1-2H3.
What are the key properties of 1-(4-methoxy-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)propan-2-amine?
1-(4-methoxy-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)propan-2-amine has a molecular weight of 225.36 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)propan-2-amine is sourced from PubChem (CID 83985498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).