6-(2-amino-4-methoxyphenyl)-5,6,7,8-tetrahydronaphthalen-2-ol

C17H19NO2 — CID 23087328

IUPAC6-(2-amino-4-methoxyphenyl)-5,6,7,8-tetrahydronaphthalen-2-ol
SMILESCOc1ccc(C2CCc3cc(O)ccc3C2)c(N)c1
InChIInChI=1S/C17H19NO2/c1-20-15-6-7-16(17(18)10-15)13-3-2-12-9-14(19)5-4-11(12)8-13/h4-7,9-10,13,19H,2-3,8,18H2,1H3
InChIKeyOJMLYDYFNMROGU-UHFFFAOYSA-N
MW269.34 g/mol
LogP3.26
Rot. Bonds2

About 6-(2-amino-4-methoxyphenyl)-5,6,7,8-tetrahydronaphthalen-2-ol

6-(2-amino-4-methoxyphenyl)-5,6,7,8-tetrahydronaphthalen-2-ol (PubChem CID 23087328) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is 6-(2-amino-4-methoxyphenyl)-5,6,7,8-tetrahydronaphthalen-2-ol.

Molecular Properties

Compound Name6-(2-amino-4-methoxyphenyl)-5,6,7,8-tetrahydronaphthalen-2-ol
PubChem CID23087328
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC Name6-(2-amino-4-methoxyphenyl)-5,6,7,8-tetrahydronaphthalen-2-ol
SMILESCOc1ccc(C2CCc3cc(O)ccc3C2)c(N)c1
InChIInChI=1S/C17H19NO2/c1-20-15-6-7-16(17(18)10-15)13-3-2-12-9-14(19)5-4-11(12)8-13/h4-7,9-10,13,19H,2-3,8,18H2,1H3
InChIKeyOJMLYDYFNMROGU-UHFFFAOYSA-N
XLogP3.26
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(2-amino-4-methoxyphenyl)-5,6,7,8-tetrahydronaphthalen-2-ol?
The IUPAC name of 6-(2-amino-4-methoxyphenyl)-5,6,7,8-tetrahydronaphthalen-2-ol (CID 23087328) is 6-(2-amino-4-methoxyphenyl)-5,6,7,8-tetrahydronaphthalen-2-ol.
What is the SMILES notation for 6-(2-amino-4-methoxyphenyl)-5,6,7,8-tetrahydronaphthalen-2-ol?
The canonical SMILES for 6-(2-amino-4-methoxyphenyl)-5,6,7,8-tetrahydronaphthalen-2-ol is COc1ccc(C2CCc3cc(O)ccc3C2)c(N)c1.
What is the InChIKey of 6-(2-amino-4-methoxyphenyl)-5,6,7,8-tetrahydronaphthalen-2-ol?
The InChIKey is OJMLYDYFNMROGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2/c1-20-15-6-7-16(17(18)10-15)13-3-2-12-9-14(19)5-4-11(12)8-13/h4-7,9-10,13,19H,2-3,8,18H2,1H3.
What are the key properties of 6-(2-amino-4-methoxyphenyl)-5,6,7,8-tetrahydronaphthalen-2-ol?
6-(2-amino-4-methoxyphenyl)-5,6,7,8-tetrahydronaphthalen-2-ol has a molecular weight of 269.34 g/mol, XLogP of 3.26, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-amino-4-methoxyphenyl)-5,6,7,8-tetrahydronaphthalen-2-ol is sourced from PubChem (CID 23087328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).