6-(4-methoxyanilino)-5,6,7,8-tetrahydronaphthalen-1-ol;hydrobromide

C17H20BrNO2 — CID 23635861

IUPAC6-(4-methoxyanilino)-5,6,7,8-tetrahydronaphthalen-1-ol;hydrobromide
SMILESBr.COc1ccc(NC2CCc3c(O)cccc3C2)cc1
InChIInChI=1S/C17H19NO2.BrH/c1-20-15-8-5-13(6-9-15)18-14-7-10-16-12(11-14)3-2-4-17(16)19;/h2-6,8-9,14,18-19H,7,10-11H2,1H3;1H
InChIKeyLXOJIHHPLULLON-UHFFFAOYSA-N
MW350.26 g/mol
LogP3.95
Rot. Bonds3

About 6-(4-methoxyanilino)-5,6,7,8-tetrahydronaphthalen-1-ol;hydrobromide

6-(4-methoxyanilino)-5,6,7,8-tetrahydronaphthalen-1-ol;hydrobromide (PubChem CID 23635861) has the molecular formula C17H20BrNO2 and a molecular weight of 350.26 g/mol. Its IUPAC name is 6-(4-methoxyanilino)-5,6,7,8-tetrahydronaphthalen-1-ol;hydrobromide.

Molecular Properties

Compound Name6-(4-methoxyanilino)-5,6,7,8-tetrahydronaphthalen-1-ol;hydrobromide
PubChem CID23635861
Molecular FormulaC17H20BrNO2
Molecular Weight350.26 g/mol
Exact Mass349.07
IUPAC Name6-(4-methoxyanilino)-5,6,7,8-tetrahydronaphthalen-1-ol;hydrobromide
SMILESBr.COc1ccc(NC2CCc3c(O)cccc3C2)cc1
InChIInChI=1S/C17H19NO2.BrH/c1-20-15-8-5-13(6-9-15)18-14-7-10-16-12(11-14)3-2-4-17(16)19;/h2-6,8-9,14,18-19H,7,10-11H2,1H3;1H
InChIKeyLXOJIHHPLULLON-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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Related Compounds

4-(((2-(Benzyloxy)phenyl)methyl)amino)phenol
CID 833990
4-(Pent-3-ylamino)-1-naphthol
CID 45487171
2-(((4-Methoxyphenyl)amino)methyl)phenol
CID 269972
1-((4-Methoxyanilino)methyl)-2-naphthol
CID 240945
4-(Cyclohexylamino)-1-naphthol
CID 45487176
6-[(2-(4-(2-Methoxyphenyl)piperazin-1-yl)ethyl)(propyl)amino]-5,6,7,8-tetrahydronaphthalen-1-ol
CID 24754400
N-[3-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)propyl]-N'-phenylethane-1,2-diamine
CID 10337232
(5-Methoxy-1,2,3,4-tetrahydro-naphthalen-1-yl)-[2-(4-phenyl-piperazin-1-yl)-ethyl]-amine
CID 10522878
(5-Methoxy-1,2,3,4-tetrahydro-naphthalen-1-yl)-[3-(4-phenyl-piperazin-1-yl)-propyl]-amine
CID 10523786
6-[2-(4-Aminophenyl)ethyl-propylamino]-5,6,7,8-tetrahydronaphthalen-1-ol
CID 15115512
4-methoxy-N-(4-methoxyphenyl)-1-naphthalenamine
CID 16223589
N-(2-hydroxy-5-methoxybenzyl)aniline
CID 13580474

Frequently Asked Questions

What is the IUPAC name of 6-(4-methoxyanilino)-5,6,7,8-tetrahydronaphthalen-1-ol;hydrobromide?
The IUPAC name of 6-(4-methoxyanilino)-5,6,7,8-tetrahydronaphthalen-1-ol;hydrobromide (CID 23635861) is 6-(4-methoxyanilino)-5,6,7,8-tetrahydronaphthalen-1-ol;hydrobromide.
What is the SMILES notation for 6-(4-methoxyanilino)-5,6,7,8-tetrahydronaphthalen-1-ol;hydrobromide?
The canonical SMILES for 6-(4-methoxyanilino)-5,6,7,8-tetrahydronaphthalen-1-ol;hydrobromide is Br.COc1ccc(NC2CCc3c(O)cccc3C2)cc1.
What is the InChIKey of 6-(4-methoxyanilino)-5,6,7,8-tetrahydronaphthalen-1-ol;hydrobromide?
The InChIKey is LXOJIHHPLULLON-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2.BrH/c1-20-15-8-5-13(6-9-15)18-14-7-10-16-12(11-14)3-2-4-17(16)19;/h2-6,8-9,14,18-19H,7,10-11H2,1H3;1H.
What are the key properties of 6-(4-methoxyanilino)-5,6,7,8-tetrahydronaphthalen-1-ol;hydrobromide?
6-(4-methoxyanilino)-5,6,7,8-tetrahydronaphthalen-1-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 6-(4-methoxyanilino)-5,6,7,8-tetrahydronaphthalen-1-ol;hydrobromide is sourced from PubChem (CID 23635861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).