5-[4-(2-aminoethoxy)naphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-ol

C22H23NO2 — CID 146639314

IUPAC5-[4-(2-aminoethoxy)naphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-ol
SMILESNCCOc1ccc(C2CCCc3cc(O)ccc32)c2ccccc12
InChIInChI=1S/C22H23NO2/c23-12-13-25-22-11-10-20(19-5-1-2-6-21(19)22)18-7-3-4-15-14-16(24)8-9-17(15)18/h1-2,5-6,8-11,14,18,24H,3-4,7,12-13,23H2
InChIKeyVRKJVOGVGFKUFG-UHFFFAOYSA-N
MW333.43 g/mol
LogP4.35
Rot. Bonds4

About 5-[4-(2-aminoethoxy)naphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-ol

5-[4-(2-aminoethoxy)naphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-ol (PubChem CID 146639314) has the molecular formula C22H23NO2 and a molecular weight of 333.43 g/mol. Its IUPAC name is 5-[4-(2-aminoethoxy)naphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-ol.

Molecular Properties

Compound Name5-[4-(2-aminoethoxy)naphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-ol
PubChem CID146639314
Molecular FormulaC22H23NO2
Molecular Weight333.43 g/mol
Exact Mass333.17
IUPAC Name5-[4-(2-aminoethoxy)naphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-ol
SMILESNCCOc1ccc(C2CCCc3cc(O)ccc32)c2ccccc12
InChIInChI=1S/C22H23NO2/c23-12-13-25-22-11-10-20(19-5-1-2-6-21(19)22)18-7-3-4-15-14-16(24)8-9-17(15)18/h1-2,5-6,8-11,14,18,24H,3-4,7,12-13,23H2
InChIKeyVRKJVOGVGFKUFG-UHFFFAOYSA-N
XLogP4.35
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(2-aminoethoxy)naphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-ol?
The IUPAC name of 5-[4-(2-aminoethoxy)naphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-ol (CID 146639314) is 5-[4-(2-aminoethoxy)naphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-ol.
What is the SMILES notation for 5-[4-(2-aminoethoxy)naphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-ol?
The canonical SMILES for 5-[4-(2-aminoethoxy)naphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-ol is NCCOc1ccc(C2CCCc3cc(O)ccc32)c2ccccc12.
What is the InChIKey of 5-[4-(2-aminoethoxy)naphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-ol?
The InChIKey is VRKJVOGVGFKUFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO2/c23-12-13-25-22-11-10-20(19-5-1-2-6-21(19)22)18-7-3-4-15-14-16(24)8-9-17(15)18/h1-2,5-6,8-11,14,18,24H,3-4,7,12-13,23H2.
What are the key properties of 5-[4-(2-aminoethoxy)naphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-ol?
5-[4-(2-aminoethoxy)naphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-ol has a molecular weight of 333.43 g/mol, XLogP of 4.35, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(2-aminoethoxy)naphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-ol is sourced from PubChem (CID 146639314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).