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

C19H25NOS — CID 10041417

IUPAC7-[propyl(2-thiophen-2-ylethyl)amino]-5,6,7,8-tetrahydronaphthalen-2-ol
SMILESCCCN(CCc1cccs1)C1CCc2ccc(O)cc2C1
InChIInChI=1S/C19H25NOS/c1-2-10-20(11-9-19-4-3-12-22-19)17-7-5-15-6-8-18(21)14-16(15)13-17/h3-4,6,8,12,14,17,21H,2,5,7,9-11,13H2,1H3
InChIKeyFKPNKWMJMHRBGE-UHFFFAOYSA-N
MW315.48 g/mol
LogP4.27
Rot. Bonds6

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

7-[propyl(2-thiophen-2-ylethyl)amino]-5,6,7,8-tetrahydronaphthalen-2-ol (PubChem CID 10041417) has the molecular formula C19H25NOS and a molecular weight of 315.48 g/mol. Its IUPAC name is 7-[propyl(2-thiophen-2-ylethyl)amino]-5,6,7,8-tetrahydronaphthalen-2-ol.

Molecular Properties

Compound Name7-[propyl(2-thiophen-2-ylethyl)amino]-5,6,7,8-tetrahydronaphthalen-2-ol
PubChem CID10041417
Molecular FormulaC19H25NOS
Molecular Weight315.48 g/mol
Exact Mass315.17
IUPAC Name7-[propyl(2-thiophen-2-ylethyl)amino]-5,6,7,8-tetrahydronaphthalen-2-ol
SMILESCCCN(CCc1cccs1)C1CCc2ccc(O)cc2C1
InChIInChI=1S/C19H25NOS/c1-2-10-20(11-9-19-4-3-12-22-19)17-7-5-15-6-8-18(21)14-16(15)13-17/h3-4,6,8,12,14,17,21H,2,5,7,9-11,13H2,1H3
InChIKeyFKPNKWMJMHRBGE-UHFFFAOYSA-N
XLogP4.27
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.48
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-[propyl(2-thiophen-2-ylethyl)amino]-5,6,7,8-tetrahydronaphthalen-2-ol?
The IUPAC name of 7-[propyl(2-thiophen-2-ylethyl)amino]-5,6,7,8-tetrahydronaphthalen-2-ol (CID 10041417) is 7-[propyl(2-thiophen-2-ylethyl)amino]-5,6,7,8-tetrahydronaphthalen-2-ol.
What is the SMILES notation for 7-[propyl(2-thiophen-2-ylethyl)amino]-5,6,7,8-tetrahydronaphthalen-2-ol?
The canonical SMILES for 7-[propyl(2-thiophen-2-ylethyl)amino]-5,6,7,8-tetrahydronaphthalen-2-ol is CCCN(CCc1cccs1)C1CCc2ccc(O)cc2C1.
What is the InChIKey of 7-[propyl(2-thiophen-2-ylethyl)amino]-5,6,7,8-tetrahydronaphthalen-2-ol?
The InChIKey is FKPNKWMJMHRBGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NOS/c1-2-10-20(11-9-19-4-3-12-22-19)17-7-5-15-6-8-18(21)14-16(15)13-17/h3-4,6,8,12,14,17,21H,2,5,7,9-11,13H2,1H3.
What are the key properties of 7-[propyl(2-thiophen-2-ylethyl)amino]-5,6,7,8-tetrahydronaphthalen-2-ol?
7-[propyl(2-thiophen-2-ylethyl)amino]-5,6,7,8-tetrahydronaphthalen-2-ol has a molecular weight of 315.48 g/mol, XLogP of 4.27, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[propyl(2-thiophen-2-ylethyl)amino]-5,6,7,8-tetrahydronaphthalen-2-ol is sourced from PubChem (CID 10041417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).