7-anilino-5,6,7,8-tetrahydronaphthalen-2-ol;hydrobromide

C16H18BrNO — CID 23635733

IUPAC7-anilino-5,6,7,8-tetrahydronaphthalen-2-ol;hydrobromide
SMILESBr.Oc1ccc2c(c1)CC(Nc1ccccc1)CC2
InChIInChI=1S/C16H17NO.BrH/c18-16-9-7-12-6-8-15(10-13(12)11-16)17-14-4-2-1-3-5-14;/h1-5,7,9,11,15,17-18H,6,8,10H2;1H
InChIKeyGFEGGFJOEQHUNE-UHFFFAOYSA-N
MW320.23 g/mol
LogP3.94
Rot. Bonds2

About 7-anilino-5,6,7,8-tetrahydronaphthalen-2-ol;hydrobromide

7-anilino-5,6,7,8-tetrahydronaphthalen-2-ol;hydrobromide (PubChem CID 23635733) has the molecular formula C16H18BrNO and a molecular weight of 320.23 g/mol. Its IUPAC name is 7-anilino-5,6,7,8-tetrahydronaphthalen-2-ol;hydrobromide.

Molecular Properties

Compound Name7-anilino-5,6,7,8-tetrahydronaphthalen-2-ol;hydrobromide
PubChem CID23635733
Molecular FormulaC16H18BrNO
Molecular Weight320.23 g/mol
Exact Mass319.06
IUPAC Name7-anilino-5,6,7,8-tetrahydronaphthalen-2-ol;hydrobromide
SMILESBr.Oc1ccc2c(c1)CC(Nc1ccccc1)CC2
InChIInChI=1S/C16H17NO.BrH/c18-16-9-7-12-6-8-15(10-13(12)11-16)17-14-4-2-1-3-5-14;/h1-5,7,9,11,15,17-18H,6,8,10H2;1H
InChIKeyGFEGGFJOEQHUNE-UHFFFAOYSA-N
XLogP3.94
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.23
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-anilino-5,6,7,8-tetrahydronaphthalen-2-ol;hydrobromide?
The IUPAC name of 7-anilino-5,6,7,8-tetrahydronaphthalen-2-ol;hydrobromide (CID 23635733) is 7-anilino-5,6,7,8-tetrahydronaphthalen-2-ol;hydrobromide.
What is the SMILES notation for 7-anilino-5,6,7,8-tetrahydronaphthalen-2-ol;hydrobromide?
The canonical SMILES for 7-anilino-5,6,7,8-tetrahydronaphthalen-2-ol;hydrobromide is Br.Oc1ccc2c(c1)CC(Nc1ccccc1)CC2.
What is the InChIKey of 7-anilino-5,6,7,8-tetrahydronaphthalen-2-ol;hydrobromide?
The InChIKey is GFEGGFJOEQHUNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO.BrH/c18-16-9-7-12-6-8-15(10-13(12)11-16)17-14-4-2-1-3-5-14;/h1-5,7,9,11,15,17-18H,6,8,10H2;1H.
What are the key properties of 7-anilino-5,6,7,8-tetrahydronaphthalen-2-ol;hydrobromide?
7-anilino-5,6,7,8-tetrahydronaphthalen-2-ol;hydrobromide has a molecular weight of 320.23 g/mol, XLogP of 3.94, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-anilino-5,6,7,8-tetrahydronaphthalen-2-ol;hydrobromide is sourced from PubChem (CID 23635733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).