6-[2-(4-hydroxyphenyl)ethyl-propylamino]-5,6,7,8-tetrahydronaphthalen-1-ol

C21H27NO2 — CID 14580578

IUPAC6-[2-(4-hydroxyphenyl)ethyl-propylamino]-5,6,7,8-tetrahydronaphthalen-1-ol
SMILESCCCN(CCc1ccc(O)cc1)C1CCc2c(O)cccc2C1
InChIInChI=1S/C21H27NO2/c1-2-13-22(14-12-16-6-9-19(23)10-7-16)18-8-11-20-17(15-18)4-3-5-21(20)24/h3-7,9-10,18,23-24H,2,8,11-15H2,1H3
InChIKeyOMQISKGBTXFLTF-UHFFFAOYSA-N
MW325.45 g/mol
LogP3.91
Rot. Bonds6

About 6-[2-(4-hydroxyphenyl)ethyl-propylamino]-5,6,7,8-tetrahydronaphthalen-1-ol

6-[2-(4-hydroxyphenyl)ethyl-propylamino]-5,6,7,8-tetrahydronaphthalen-1-ol (PubChem CID 14580578) has the molecular formula C21H27NO2 and a molecular weight of 325.45 g/mol. Its IUPAC name is 6-[2-(4-hydroxyphenyl)ethyl-propylamino]-5,6,7,8-tetrahydronaphthalen-1-ol.

Molecular Properties

Compound Name6-[2-(4-hydroxyphenyl)ethyl-propylamino]-5,6,7,8-tetrahydronaphthalen-1-ol
PubChem CID14580578
Molecular FormulaC21H27NO2
Molecular Weight325.45 g/mol
Exact Mass325.20
IUPAC Name6-[2-(4-hydroxyphenyl)ethyl-propylamino]-5,6,7,8-tetrahydronaphthalen-1-ol
SMILESCCCN(CCc1ccc(O)cc1)C1CCc2c(O)cccc2C1
InChIInChI=1S/C21H27NO2/c1-2-13-22(14-12-16-6-9-19(23)10-7-16)18-8-11-20-17(15-18)4-3-5-21(20)24/h3-7,9-10,18,23-24H,2,8,11-15H2,1H3
InChIKeyOMQISKGBTXFLTF-UHFFFAOYSA-N
XLogP3.91
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.45
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(4-hydroxyphenyl)ethyl-propylamino]-5,6,7,8-tetrahydronaphthalen-1-ol?
The IUPAC name of 6-[2-(4-hydroxyphenyl)ethyl-propylamino]-5,6,7,8-tetrahydronaphthalen-1-ol (CID 14580578) is 6-[2-(4-hydroxyphenyl)ethyl-propylamino]-5,6,7,8-tetrahydronaphthalen-1-ol.
What is the SMILES notation for 6-[2-(4-hydroxyphenyl)ethyl-propylamino]-5,6,7,8-tetrahydronaphthalen-1-ol?
The canonical SMILES for 6-[2-(4-hydroxyphenyl)ethyl-propylamino]-5,6,7,8-tetrahydronaphthalen-1-ol is CCCN(CCc1ccc(O)cc1)C1CCc2c(O)cccc2C1.
What is the InChIKey of 6-[2-(4-hydroxyphenyl)ethyl-propylamino]-5,6,7,8-tetrahydronaphthalen-1-ol?
The InChIKey is OMQISKGBTXFLTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO2/c1-2-13-22(14-12-16-6-9-19(23)10-7-16)18-8-11-20-17(15-18)4-3-5-21(20)24/h3-7,9-10,18,23-24H,2,8,11-15H2,1H3.
What are the key properties of 6-[2-(4-hydroxyphenyl)ethyl-propylamino]-5,6,7,8-tetrahydronaphthalen-1-ol?
6-[2-(4-hydroxyphenyl)ethyl-propylamino]-5,6,7,8-tetrahydronaphthalen-1-ol has a molecular weight of 325.45 g/mol, XLogP of 3.91, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(4-hydroxyphenyl)ethyl-propylamino]-5,6,7,8-tetrahydronaphthalen-1-ol is sourced from PubChem (CID 14580578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).