((S)-7-Methoxy-1,2,3,4-tetrahydro-naphthalen-2-yl)-propyl-(2-thiophen-2-yl-ethyl)-amine

C20H27NOS — CID 44355355

IUPAC(2S)-7-methoxy-N-propyl-N-(2-thiophen-2-ylethyl)-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCCCN(CCC1=CC=CS1)[C@H]2CCC3=C(C2)C=C(C=C3)OC
InChIInChI=1S/C20H27NOS/c1-3-11-21(12-10-20-5-4-13-23-20)18-8-6-16-7-9-19(22-2)15-17(16)14-18/h4-5,7,9,13,15,18H,3,6,8,10-12,14H2,1-2H3/t18-/m0/s1
InChIKeyOWXFTDUHWKXJTL-SFHVURJKSA-N
MW329.50 g/mol
LogP5.20
Rot. Bonds7

About ((S)-7-Methoxy-1,2,3,4-tetrahydro-naphthalen-2-yl)-propyl-(2-thiophen-2-yl-ethyl)-amine

((S)-7-Methoxy-1,2,3,4-tetrahydro-naphthalen-2-yl)-propyl-(2-thiophen-2-yl-ethyl)-amine (PubChem CID 44355355) has the molecular formula C20H27NOS and a molecular weight of 329.50 g/mol. Its IUPAC name is (2S)-7-methoxy-N-propyl-N-(2-thiophen-2-ylethyl)-1,2,3,4-tetrahydronaphthalen-2-amine.

Molecular Properties

Compound Name((S)-7-Methoxy-1,2,3,4-tetrahydro-naphthalen-2-yl)-propyl-(2-thiophen-2-yl-ethyl)-amine
PubChem CID44355355
Molecular FormulaC20H27NOS
Molecular Weight329.50 g/mol
Exact Mass329.18
IUPAC Name(2S)-7-methoxy-N-propyl-N-(2-thiophen-2-ylethyl)-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCCCN(CCC1=CC=CS1)[C@H]2CCC3=C(C2)C=C(C=C3)OC
InChIInChI=1S/C20H27NOS/c1-3-11-21(12-10-20-5-4-13-23-20)18-8-6-16-7-9-19(22-2)15-17(16)14-18/h4-5,7,9,13,15,18H,3,6,8,10-12,14H2,1-2H3/t18-/m0/s1
InChIKeyOWXFTDUHWKXJTL-SFHVURJKSA-N
XLogP5.20
TPSA40.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity351

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.50
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze ((S)-7-Methoxy-1,2,3,4-tetrahydro-naphthalen-2-yl)-propyl-(2-thiophen-2-yl-ethyl)-amine with MolForge

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Related Compounds

Rotigotine
CID 59227
5,6,7,8-Tetrahydro-6-(propyl(2-(2-thienyl)ethyl)amino)-1-naphthalenol
CID 57537
Rotigotine hydrochloride
CID 180335
N 0734
CID 128054
7-[Propyl(2-thiophen-2-ylethyl)amino]-5,6,7,8-tetrahydronaphthalen-2-ol
CID 10041417
(S)-(+)-N,N-Dimethyl-3-(1-naphthalenyloxy)-3-(2-thienyl)propanamine
CID 9818212
6,7-dimethoxy-2-(thiophen-2-ylmethyl)-3,4-dihydro-1H-isoquinoline
CID 2173545
(5,6-Dimethoxy-indan-2-yl)-propyl-(2-thiophen-3-yl-ethyl)-amine
CID 10882507
(5,6-Dimethoxy-indan-2-yl)-propyl-(2-thiophen-2-yl-ethyl)-amine
CID 10904093
(5,6-Dimethoxy-indan-2-yl)-propyl-thiophen-3-ylmethyl-amine
CID 11045807
((R)-5-Methoxy-1,2,3,4-tetrahydro-naphthalen-2-yl)-propyl-thiophen-2-ylmethyl-amine
CID 44308839
(5-Cyclopentyloxy-1,2,3,4-tetrahydro-naphthalen-2-yl)-propyl-(2-thiophen-2-yl-ethyl)-amine
CID 44355433

Frequently Asked Questions

What is the IUPAC name of ((S)-7-Methoxy-1,2,3,4-tetrahydro-naphthalen-2-yl)-propyl-(2-thiophen-2-yl-ethyl)-amine?
The IUPAC name of ((S)-7-Methoxy-1,2,3,4-tetrahydro-naphthalen-2-yl)-propyl-(2-thiophen-2-yl-ethyl)-amine (CID 44355355) is (2S)-7-methoxy-N-propyl-N-(2-thiophen-2-ylethyl)-1,2,3,4-tetrahydronaphthalen-2-amine.
What is the SMILES notation for ((S)-7-Methoxy-1,2,3,4-tetrahydro-naphthalen-2-yl)-propyl-(2-thiophen-2-yl-ethyl)-amine?
The canonical SMILES for ((S)-7-Methoxy-1,2,3,4-tetrahydro-naphthalen-2-yl)-propyl-(2-thiophen-2-yl-ethyl)-amine is CCCN(CCC1=CC=CS1)[C@H]2CCC3=C(C2)C=C(C=C3)OC.
What is the InChIKey of ((S)-7-Methoxy-1,2,3,4-tetrahydro-naphthalen-2-yl)-propyl-(2-thiophen-2-yl-ethyl)-amine?
The InChIKey is OWXFTDUHWKXJTL-SFHVURJKSA-N. The full InChI is InChI=1S/C20H27NOS/c1-3-11-21(12-10-20-5-4-13-23-20)18-8-6-16-7-9-19(22-2)15-17(16)14-18/h4-5,7,9,13,15,18H,3,6,8,10-12,14H2,1-2H3/t18-/m0/s1.
What are the key properties of ((S)-7-Methoxy-1,2,3,4-tetrahydro-naphthalen-2-yl)-propyl-(2-thiophen-2-yl-ethyl)-amine?
((S)-7-Methoxy-1,2,3,4-tetrahydro-naphthalen-2-yl)-propyl-(2-thiophen-2-yl-ethyl)-amine has a molecular weight of 329.50 g/mol, XLogP of 5.20, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ((S)-7-Methoxy-1,2,3,4-tetrahydro-naphthalen-2-yl)-propyl-(2-thiophen-2-yl-ethyl)-amine is sourced from PubChem (CID 44355355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).