7-(4-methoxyanilino)-5,6,7,8-tetrahydronaphthalen-2-ol;hydrobromide

C17H20BrNO2 — CID 23635863

IUPAC7-(4-methoxyanilino)-5,6,7,8-tetrahydronaphthalen-2-ol;hydrobromide
SMILESBr.COc1ccc(NC2CCc3ccc(O)cc3C2)cc1
InChIInChI=1S/C17H19NO2.BrH/c1-20-17-8-5-14(6-9-17)18-15-4-2-12-3-7-16(19)11-13(12)10-15;/h3,5-9,11,15,18-19H,2,4,10H2,1H3;1H
InChIKeyYTOAMVAUPXJVJC-UHFFFAOYSA-N
MW350.26 g/mol
LogP3.95
Rot. Bonds3

About 7-(4-methoxyanilino)-5,6,7,8-tetrahydronaphthalen-2-ol;hydrobromide

7-(4-methoxyanilino)-5,6,7,8-tetrahydronaphthalen-2-ol;hydrobromide (PubChem CID 23635863) has the molecular formula C17H20BrNO2 and a molecular weight of 350.26 g/mol. Its IUPAC name is 7-(4-methoxyanilino)-5,6,7,8-tetrahydronaphthalen-2-ol;hydrobromide.

Molecular Properties

Compound Name7-(4-methoxyanilino)-5,6,7,8-tetrahydronaphthalen-2-ol;hydrobromide
PubChem CID23635863
Molecular FormulaC17H20BrNO2
Molecular Weight350.26 g/mol
Exact Mass349.07
IUPAC Name7-(4-methoxyanilino)-5,6,7,8-tetrahydronaphthalen-2-ol;hydrobromide
SMILESBr.COc1ccc(NC2CCc3ccc(O)cc3C2)cc1
InChIInChI=1S/C17H19NO2.BrH/c1-20-17-8-5-14(6-9-17)18-15-4-2-12-3-7-16(19)11-13(12)10-15;/h3,5-9,11,15,18-19H,2,4,10H2,1H3;1H
InChIKeyYTOAMVAUPXJVJC-UHFFFAOYSA-N
XLogP3.95
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.26
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-(4-methoxyanilino)-5,6,7,8-tetrahydronaphthalen-2-ol;hydrobromide?
The IUPAC name of 7-(4-methoxyanilino)-5,6,7,8-tetrahydronaphthalen-2-ol;hydrobromide (CID 23635863) is 7-(4-methoxyanilino)-5,6,7,8-tetrahydronaphthalen-2-ol;hydrobromide.
What is the SMILES notation for 7-(4-methoxyanilino)-5,6,7,8-tetrahydronaphthalen-2-ol;hydrobromide?
The canonical SMILES for 7-(4-methoxyanilino)-5,6,7,8-tetrahydronaphthalen-2-ol;hydrobromide is Br.COc1ccc(NC2CCc3ccc(O)cc3C2)cc1.
What is the InChIKey of 7-(4-methoxyanilino)-5,6,7,8-tetrahydronaphthalen-2-ol;hydrobromide?
The InChIKey is YTOAMVAUPXJVJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2.BrH/c1-20-17-8-5-14(6-9-17)18-15-4-2-12-3-7-16(19)11-13(12)10-15;/h3,5-9,11,15,18-19H,2,4,10H2,1H3;1H.
What are the key properties of 7-(4-methoxyanilino)-5,6,7,8-tetrahydronaphthalen-2-ol;hydrobromide?
7-(4-methoxyanilino)-5,6,7,8-tetrahydronaphthalen-2-ol;hydrobromide has a molecular weight of 350.26 g/mol, XLogP of 3.95, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-methoxyanilino)-5,6,7,8-tetrahydronaphthalen-2-ol;hydrobromide is sourced from PubChem (CID 23635863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).