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

C17H20BrNO2 — CID 23636359

IUPAC7-(4-methoxyanilino)-5,6,7,8-tetrahydronaphthalen-1-ol;hydrobromide
SMILESBr.COc1ccc(NC2CCc3cccc(O)c3C2)cc1
InChIInChI=1S/C17H19NO2.BrH/c1-20-15-9-7-13(8-10-15)18-14-6-5-12-3-2-4-17(19)16(12)11-14;/h2-4,7-10,14,18-19H,5-6,11H2,1H3;1H
InChIKeyUVEOZYDPZSIHRT-UHFFFAOYSA-N
MW350.26 g/mol
LogP3.95
Rot. Bonds3

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

7-(4-methoxyanilino)-5,6,7,8-tetrahydronaphthalen-1-ol;hydrobromide (PubChem CID 23636359) 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-1-ol;hydrobromide.

Molecular Properties

Compound Name7-(4-methoxyanilino)-5,6,7,8-tetrahydronaphthalen-1-ol;hydrobromide
PubChem CID23636359
Molecular FormulaC17H20BrNO2
Molecular Weight350.26 g/mol
Exact Mass349.07
IUPAC Name7-(4-methoxyanilino)-5,6,7,8-tetrahydronaphthalen-1-ol;hydrobromide
SMILESBr.COc1ccc(NC2CCc3cccc(O)c3C2)cc1
InChIInChI=1S/C17H19NO2.BrH/c1-20-15-9-7-13(8-10-15)18-14-6-5-12-3-2-4-17(19)16(12)11-14;/h2-4,7-10,14,18-19H,5-6,11H2,1H3;1H
InChIKeyUVEOZYDPZSIHRT-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'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-bromo-N-(4-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 63627261
N-(4-methoxyphenyl)cyclooctanamine
CID 29275692
7-(prop-2-enylamino)-5,6,7,8-tetrahydronaphthalen-1-ol
CID 18331831
2-(4-fluorosulfonyloxyanilino)-7-methoxy-1,2,3,4-tetrahydronaphthalene
CID 146097580
N-(cyclopropylmethyl)-8-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride
CID 18331788
methyl 2-(8-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)acetate
CID 54298591
7-methoxy-N-(3-methylsulfanylphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 115510225
methyl 3-(1,2,3,4-tetrahydronaphthalen-2-ylamino)benzoate
CID 43774418
N-(2,4-dimethoxyphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 2846354
N-[4-(cyclopropylamino)phenyl]-4-methoxybenzamide
CID 112979959
N-(4-phenylmethoxyphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 15078242
methyl 4-(4-methoxyanilino)cyclohexane-1-carboxylate
CID 13394768

Frequently Asked Questions

What is the IUPAC name of 7-(4-methoxyanilino)-5,6,7,8-tetrahydronaphthalen-1-ol;hydrobromide?
The IUPAC name of 7-(4-methoxyanilino)-5,6,7,8-tetrahydronaphthalen-1-ol;hydrobromide (CID 23636359) is 7-(4-methoxyanilino)-5,6,7,8-tetrahydronaphthalen-1-ol;hydrobromide.
What is the SMILES notation for 7-(4-methoxyanilino)-5,6,7,8-tetrahydronaphthalen-1-ol;hydrobromide?
The canonical SMILES for 7-(4-methoxyanilino)-5,6,7,8-tetrahydronaphthalen-1-ol;hydrobromide is Br.COc1ccc(NC2CCc3cccc(O)c3C2)cc1.
What is the InChIKey of 7-(4-methoxyanilino)-5,6,7,8-tetrahydronaphthalen-1-ol;hydrobromide?
The InChIKey is UVEOZYDPZSIHRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2.BrH/c1-20-15-9-7-13(8-10-15)18-14-6-5-12-3-2-4-17(19)16(12)11-14;/h2-4,7-10,14,18-19H,5-6,11H2,1H3;1H.
What are the key properties of 7-(4-methoxyanilino)-5,6,7,8-tetrahydronaphthalen-1-ol;hydrobromide?
7-(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 7-(4-methoxyanilino)-5,6,7,8-tetrahydronaphthalen-1-ol;hydrobromide is sourced from PubChem (CID 23636359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).