3-(5,6-dimethoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-N-methyl-2-thiophen-2-ylpropan-1-amine;hydrochloride

C20H28ClNO2S — CID 67867567

IUPAC3-(5,6-dimethoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-N-methyl-2-thiophen-2-ylpropan-1-amine;hydrochloride
SMILESCNCC(CC1CCCc2c1ccc(OC)c2OC)c1cccs1.Cl
InChIInChI=1S/C20H27NO2S.ClH/c1-21-13-15(19-8-5-11-24-19)12-14-6-4-7-17-16(14)9-10-18(22-2)20(17)23-3;/h5,8-11,14-15,21H,4,6-7,12-13H2,1-3H3;1H
InChIKeyGXMUOMGPRHYCJH-UHFFFAOYSA-N
MW381.97 g/mol
LogP5.00
Rot. Bonds7

About 3-(5,6-dimethoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-N-methyl-2-thiophen-2-ylpropan-1-amine;hydrochloride

3-(5,6-dimethoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-N-methyl-2-thiophen-2-ylpropan-1-amine;hydrochloride (PubChem CID 67867567) has the molecular formula C20H28ClNO2S and a molecular weight of 381.97 g/mol. Its IUPAC name is 3-(5,6-dimethoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-N-methyl-2-thiophen-2-ylpropan-1-amine;hydrochloride.

Molecular Properties

Compound Name3-(5,6-dimethoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-N-methyl-2-thiophen-2-ylpropan-1-amine;hydrochloride
PubChem CID67867567
Molecular FormulaC20H28ClNO2S
Molecular Weight381.97 g/mol
Exact Mass381.15
IUPAC Name3-(5,6-dimethoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-N-methyl-2-thiophen-2-ylpropan-1-amine;hydrochloride
SMILESCNCC(CC1CCCc2c1ccc(OC)c2OC)c1cccs1.Cl
InChIInChI=1S/C20H27NO2S.ClH/c1-21-13-15(19-8-5-11-24-19)12-14-6-4-7-17-16(14)9-10-18(22-2)20(17)23-3;/h5,8-11,14-15,21H,4,6-7,12-13H2,1-3H3;1H
InChIKeyGXMUOMGPRHYCJH-UHFFFAOYSA-N
XLogP5.00
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.97
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(5,6-dimethoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-N-methyl-2-thiophen-2-ylpropan-1-amine;hydrochloride?
The IUPAC name of 3-(5,6-dimethoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-N-methyl-2-thiophen-2-ylpropan-1-amine;hydrochloride (CID 67867567) is 3-(5,6-dimethoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-N-methyl-2-thiophen-2-ylpropan-1-amine;hydrochloride.
What is the SMILES notation for 3-(5,6-dimethoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-N-methyl-2-thiophen-2-ylpropan-1-amine;hydrochloride?
The canonical SMILES for 3-(5,6-dimethoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-N-methyl-2-thiophen-2-ylpropan-1-amine;hydrochloride is CNCC(CC1CCCc2c1ccc(OC)c2OC)c1cccs1.Cl.
What is the InChIKey of 3-(5,6-dimethoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-N-methyl-2-thiophen-2-ylpropan-1-amine;hydrochloride?
The InChIKey is GXMUOMGPRHYCJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27NO2S.ClH/c1-21-13-15(19-8-5-11-24-19)12-14-6-4-7-17-16(14)9-10-18(22-2)20(17)23-3;/h5,8-11,14-15,21H,4,6-7,12-13H2,1-3H3;1H.
What are the key properties of 3-(5,6-dimethoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-N-methyl-2-thiophen-2-ylpropan-1-amine;hydrochloride?
3-(5,6-dimethoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-N-methyl-2-thiophen-2-ylpropan-1-amine;hydrochloride has a molecular weight of 381.97 g/mol, XLogP of 5.00, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5,6-dimethoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-N-methyl-2-thiophen-2-ylpropan-1-amine;hydrochloride is sourced from PubChem (CID 67867567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).