7-[propyl(3-thiophen-2-ylpropyl)amino]-5,6,7,8-tetrahydronaphthalen-2-ol

C20H27NOS — CID 57225664

IUPAC7-[propyl(3-thiophen-2-ylpropyl)amino]-5,6,7,8-tetrahydronaphthalen-2-ol
SMILESCCCN(CCCc1cccs1)C1CCc2ccc(O)cc2C1
InChIInChI=1S/C20H27NOS/c1-2-11-21(12-3-5-20-6-4-13-23-20)18-9-7-16-8-10-19(22)15-17(16)14-18/h4,6,8,10,13,15,18,22H,2-3,5,7,9,11-12,14H2,1H3
InChIKeyVIBVDTLSKLQBGU-UHFFFAOYSA-N
MW329.51 g/mol
LogP4.66
Rot. Bonds7

About 7-[propyl(3-thiophen-2-ylpropyl)amino]-5,6,7,8-tetrahydronaphthalen-2-ol

7-[propyl(3-thiophen-2-ylpropyl)amino]-5,6,7,8-tetrahydronaphthalen-2-ol (PubChem CID 57225664) has the molecular formula C20H27NOS and a molecular weight of 329.51 g/mol. Its IUPAC name is 7-[propyl(3-thiophen-2-ylpropyl)amino]-5,6,7,8-tetrahydronaphthalen-2-ol.

Molecular Properties

Compound Name7-[propyl(3-thiophen-2-ylpropyl)amino]-5,6,7,8-tetrahydronaphthalen-2-ol
PubChem CID57225664
Molecular FormulaC20H27NOS
Molecular Weight329.51 g/mol
Exact Mass329.18
IUPAC Name7-[propyl(3-thiophen-2-ylpropyl)amino]-5,6,7,8-tetrahydronaphthalen-2-ol
SMILESCCCN(CCCc1cccs1)C1CCc2ccc(O)cc2C1
InChIInChI=1S/C20H27NOS/c1-2-11-21(12-3-5-20-6-4-13-23-20)18-9-7-16-8-10-19(22)15-17(16)14-18/h4,6,8,10,13,15,18,22H,2-3,5,7,9,11-12,14H2,1H3
InChIKeyVIBVDTLSKLQBGU-UHFFFAOYSA-N
XLogP4.66
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.51
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 7-[propyl(3-thiophen-2-ylpropyl)amino]-5,6,7,8-tetrahydronaphthalen-2-ol with MolForge

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Related Compounds

(7R)-7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-2-ol bromide
CID 51371143
7-[(2-fluoro-2-methoxyethyl)-propylamino]-5,6,7,8-tetrahydronaphthalen-2-ol
CID 91477099
7-[[(E)-3-iodoprop-2-enyl]-propylamino]-5,6,7,8-tetrahydronaphthalen-2-ol
CID 6305587
[7-[propyl(2-thiophen-2-ylethyl)amino]-5,6,7,8-tetrahydronaphthalen-2-yl] 7-cyclohexylheptanoate
CID 118670846
(7S)-7-[4-(4-phenylpiperazin-1-yl)butyl-propylamino]-5,6,7,8-tetrahydronaphthalen-2-ol;trihydrochloride
CID 24755407
hydrogen phosphate;bis((6S)-6-[propyl(2-thiophen-2-ylethyl)amino]-5,6,7,8-tetrahydronaphthalen-1-ol)
CID 50916842
[6-[propyl(2-thiophen-2-ylethyl)amino]-5,6,7,8-tetrahydronaphthalen-1-yl] benzoate
CID 118668198
7-[ethyl(methyl)amino]-5,6,7,8-tetrahydronaphthalen-2-ol
CID 10512444
7-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl-propylamino]-5,6,7,8-tetrahydronaphthalen-2-ol
CID 10479465
7-[1-hydroxypropan-2-yl(propyl)amino]-5,6,7,8-tetrahydronaphthalen-2-ol
CID 91363725
[6-[propyl(2-thiophen-2-ylethyl)amino]-5,6,7,8-tetrahydronaphthalen-1-yl] dodecanoate
CID 118668160
[(6S)-6-[propyl(2-thiophen-2-ylethyl)amino]-5,6,7,8-tetrahydronaphthalen-1-yl] 2-amino-2-hydroxyacetate
CID 146526991

Frequently Asked Questions

What is the IUPAC name of 7-[propyl(3-thiophen-2-ylpropyl)amino]-5,6,7,8-tetrahydronaphthalen-2-ol?
The IUPAC name of 7-[propyl(3-thiophen-2-ylpropyl)amino]-5,6,7,8-tetrahydronaphthalen-2-ol (CID 57225664) is 7-[propyl(3-thiophen-2-ylpropyl)amino]-5,6,7,8-tetrahydronaphthalen-2-ol.
What is the SMILES notation for 7-[propyl(3-thiophen-2-ylpropyl)amino]-5,6,7,8-tetrahydronaphthalen-2-ol?
The canonical SMILES for 7-[propyl(3-thiophen-2-ylpropyl)amino]-5,6,7,8-tetrahydronaphthalen-2-ol is CCCN(CCCc1cccs1)C1CCc2ccc(O)cc2C1.
What is the InChIKey of 7-[propyl(3-thiophen-2-ylpropyl)amino]-5,6,7,8-tetrahydronaphthalen-2-ol?
The InChIKey is VIBVDTLSKLQBGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27NOS/c1-2-11-21(12-3-5-20-6-4-13-23-20)18-9-7-16-8-10-19(22)15-17(16)14-18/h4,6,8,10,13,15,18,22H,2-3,5,7,9,11-12,14H2,1H3.
What are the key properties of 7-[propyl(3-thiophen-2-ylpropyl)amino]-5,6,7,8-tetrahydronaphthalen-2-ol?
7-[propyl(3-thiophen-2-ylpropyl)amino]-5,6,7,8-tetrahydronaphthalen-2-ol has a molecular weight of 329.51 g/mol, XLogP of 4.66, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[propyl(3-thiophen-2-ylpropyl)amino]-5,6,7,8-tetrahydronaphthalen-2-ol is sourced from PubChem (CID 57225664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).