5-[4-(2-aminoethoxy)phenyl]-5,6,7,8-tetrahydronaphthalen-2-ol

C18H21NO2 — CID 146639747

IUPAC5-[4-(2-aminoethoxy)phenyl]-5,6,7,8-tetrahydronaphthalen-2-ol
SMILESNCCOc1ccc(C2CCCc3cc(O)ccc32)cc1
InChIInChI=1S/C18H21NO2/c19-10-11-21-16-7-4-13(5-8-16)17-3-1-2-14-12-15(20)6-9-18(14)17/h4-9,12,17,20H,1-3,10-11,19H2
InChIKeyYIXARBZNOSJNJL-UHFFFAOYSA-N
MW283.37 g/mol
LogP3.20
Rot. Bonds4

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

5-[4-(2-aminoethoxy)phenyl]-5,6,7,8-tetrahydronaphthalen-2-ol (PubChem CID 146639747) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is 5-[4-(2-aminoethoxy)phenyl]-5,6,7,8-tetrahydronaphthalen-2-ol.

Molecular Properties

Compound Name5-[4-(2-aminoethoxy)phenyl]-5,6,7,8-tetrahydronaphthalen-2-ol
PubChem CID146639747
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC Name5-[4-(2-aminoethoxy)phenyl]-5,6,7,8-tetrahydronaphthalen-2-ol
SMILESNCCOc1ccc(C2CCCc3cc(O)ccc32)cc1
InChIInChI=1S/C18H21NO2/c19-10-11-21-16-7-4-13(5-8-16)17-3-1-2-14-12-15(20)6-9-18(14)17/h4-9,12,17,20H,1-3,10-11,19H2
InChIKeyYIXARBZNOSJNJL-UHFFFAOYSA-N
XLogP3.20
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 53.20
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)phenyl]-5,6,7,8-tetrahydronaphthalen-2-ol?
The IUPAC name of 5-[4-(2-aminoethoxy)phenyl]-5,6,7,8-tetrahydronaphthalen-2-ol (CID 146639747) is 5-[4-(2-aminoethoxy)phenyl]-5,6,7,8-tetrahydronaphthalen-2-ol.
What is the SMILES notation for 5-[4-(2-aminoethoxy)phenyl]-5,6,7,8-tetrahydronaphthalen-2-ol?
The canonical SMILES for 5-[4-(2-aminoethoxy)phenyl]-5,6,7,8-tetrahydronaphthalen-2-ol is NCCOc1ccc(C2CCCc3cc(O)ccc32)cc1.
What is the InChIKey of 5-[4-(2-aminoethoxy)phenyl]-5,6,7,8-tetrahydronaphthalen-2-ol?
The InChIKey is YIXARBZNOSJNJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2/c19-10-11-21-16-7-4-13(5-8-16)17-3-1-2-14-12-15(20)6-9-18(14)17/h4-9,12,17,20H,1-3,10-11,19H2.
What are the key properties of 5-[4-(2-aminoethoxy)phenyl]-5,6,7,8-tetrahydronaphthalen-2-ol?
5-[4-(2-aminoethoxy)phenyl]-5,6,7,8-tetrahydronaphthalen-2-ol has a molecular weight of 283.37 g/mol, XLogP of 3.20, 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)phenyl]-5,6,7,8-tetrahydronaphthalen-2-ol is sourced from PubChem (CID 146639747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).