6-[[2-hydroxy-2-(1-hydroxycyclopentyl)ethyl]amino]-5,6,7,8-tetrahydronaphthalen-2-ol

C17H25NO3 — CID 138017493

IUPAC6-[[2-hydroxy-2-(1-hydroxycyclopentyl)ethyl]amino]-5,6,7,8-tetrahydronaphthalen-2-ol
SMILESOc1ccc2c(c1)CCC(NCC(O)C1(O)CCCC1)C2
InChIInChI=1S/C17H25NO3/c19-15-6-4-12-9-14(5-3-13(12)10-15)18-11-16(20)17(21)7-1-2-8-17/h4,6,10,14,16,18-21H,1-3,5,7-9,11H2
InChIKeyFXDUAMVXGPDZFR-UHFFFAOYSA-N
MW291.39 g/mol
LogP1.51
Rot. Bonds4

About 6-[[2-hydroxy-2-(1-hydroxycyclopentyl)ethyl]amino]-5,6,7,8-tetrahydronaphthalen-2-ol

6-[[2-hydroxy-2-(1-hydroxycyclopentyl)ethyl]amino]-5,6,7,8-tetrahydronaphthalen-2-ol (PubChem CID 138017493) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is 6-[[2-hydroxy-2-(1-hydroxycyclopentyl)ethyl]amino]-5,6,7,8-tetrahydronaphthalen-2-ol.

Molecular Properties

Compound Name6-[[2-hydroxy-2-(1-hydroxycyclopentyl)ethyl]amino]-5,6,7,8-tetrahydronaphthalen-2-ol
PubChem CID138017493
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC Name6-[[2-hydroxy-2-(1-hydroxycyclopentyl)ethyl]amino]-5,6,7,8-tetrahydronaphthalen-2-ol
SMILESOc1ccc2c(c1)CCC(NCC(O)C1(O)CCCC1)C2
InChIInChI=1S/C17H25NO3/c19-15-6-4-12-9-14(5-3-13(12)10-15)18-11-16(20)17(21)7-1-2-8-17/h4,6,10,14,16,18-21H,1-3,5,7-9,11H2
InChIKeyFXDUAMVXGPDZFR-UHFFFAOYSA-N
XLogP1.51
TPSA72.72 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 51.51
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[[2-hydroxy-2-(1-hydroxycyclopentyl)ethyl]amino]-5,6,7,8-tetrahydronaphthalen-2-ol?
The IUPAC name of 6-[[2-hydroxy-2-(1-hydroxycyclopentyl)ethyl]amino]-5,6,7,8-tetrahydronaphthalen-2-ol (CID 138017493) is 6-[[2-hydroxy-2-(1-hydroxycyclopentyl)ethyl]amino]-5,6,7,8-tetrahydronaphthalen-2-ol.
What is the SMILES notation for 6-[[2-hydroxy-2-(1-hydroxycyclopentyl)ethyl]amino]-5,6,7,8-tetrahydronaphthalen-2-ol?
The canonical SMILES for 6-[[2-hydroxy-2-(1-hydroxycyclopentyl)ethyl]amino]-5,6,7,8-tetrahydronaphthalen-2-ol is Oc1ccc2c(c1)CCC(NCC(O)C1(O)CCCC1)C2.
What is the InChIKey of 6-[[2-hydroxy-2-(1-hydroxycyclopentyl)ethyl]amino]-5,6,7,8-tetrahydronaphthalen-2-ol?
The InChIKey is FXDUAMVXGPDZFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO3/c19-15-6-4-12-9-14(5-3-13(12)10-15)18-11-16(20)17(21)7-1-2-8-17/h4,6,10,14,16,18-21H,1-3,5,7-9,11H2.
What are the key properties of 6-[[2-hydroxy-2-(1-hydroxycyclopentyl)ethyl]amino]-5,6,7,8-tetrahydronaphthalen-2-ol?
6-[[2-hydroxy-2-(1-hydroxycyclopentyl)ethyl]amino]-5,6,7,8-tetrahydronaphthalen-2-ol has a molecular weight of 291.39 g/mol, XLogP of 1.51, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-hydroxy-2-(1-hydroxycyclopentyl)ethyl]amino]-5,6,7,8-tetrahydronaphthalen-2-ol is sourced from PubChem (CID 138017493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).