5-[[2-(3-hydroxyphenyl)ethyl-methylamino]methyl]-5,6,7,8-tetrahydronaphthalen-2-ol;hydrochloride

C20H26ClNO2 — CID 19882664

IUPAC5-[[2-(3-hydroxyphenyl)ethyl-methylamino]methyl]-5,6,7,8-tetrahydronaphthalen-2-ol;hydrochloride
SMILESCN(CCc1cccc(O)c1)CC1CCCc2cc(O)ccc21.Cl
InChIInChI=1S/C20H25NO2.ClH/c1-21(11-10-15-4-2-7-18(22)12-15)14-17-6-3-5-16-13-19(23)8-9-20(16)17;/h2,4,7-9,12-13,17,22-23H,3,5-6,10-11,14H2,1H3;1H
InChIKeyPGIHMSDUSCWORZ-UHFFFAOYSA-N
MW347.89 g/mol
LogP4.11
Rot. Bonds5

About 5-[[2-(3-hydroxyphenyl)ethyl-methylamino]methyl]-5,6,7,8-tetrahydronaphthalen-2-ol;hydrochloride

5-[[2-(3-hydroxyphenyl)ethyl-methylamino]methyl]-5,6,7,8-tetrahydronaphthalen-2-ol;hydrochloride (PubChem CID 19882664) has the molecular formula C20H26ClNO2 and a molecular weight of 347.89 g/mol. Its IUPAC name is 5-[[2-(3-hydroxyphenyl)ethyl-methylamino]methyl]-5,6,7,8-tetrahydronaphthalen-2-ol;hydrochloride.

Molecular Properties

Compound Name5-[[2-(3-hydroxyphenyl)ethyl-methylamino]methyl]-5,6,7,8-tetrahydronaphthalen-2-ol;hydrochloride
PubChem CID19882664
Molecular FormulaC20H26ClNO2
Molecular Weight347.89 g/mol
Exact Mass347.17
IUPAC Name5-[[2-(3-hydroxyphenyl)ethyl-methylamino]methyl]-5,6,7,8-tetrahydronaphthalen-2-ol;hydrochloride
SMILESCN(CCc1cccc(O)c1)CC1CCCc2cc(O)ccc21.Cl
InChIInChI=1S/C20H25NO2.ClH/c1-21(11-10-15-4-2-7-18(22)12-15)14-17-6-3-5-16-13-19(23)8-9-20(16)17;/h2,4,7-9,12-13,17,22-23H,3,5-6,10-11,14H2,1H3;1H
InChIKeyPGIHMSDUSCWORZ-UHFFFAOYSA-N
XLogP4.11
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.89
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-[[2-(3-hydroxyphenyl)ethyl-methylamino]methyl]-5,6,7,8-tetrahydronaphthalen-2-ol;hydrochloride with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(3-hydroxyphenyl)ethyl-methylamino]methyl]-5,6,7,8-tetrahydronaphthalen-2-ol;hydrochloride?
The IUPAC name of 5-[[2-(3-hydroxyphenyl)ethyl-methylamino]methyl]-5,6,7,8-tetrahydronaphthalen-2-ol;hydrochloride (CID 19882664) is 5-[[2-(3-hydroxyphenyl)ethyl-methylamino]methyl]-5,6,7,8-tetrahydronaphthalen-2-ol;hydrochloride.
What is the SMILES notation for 5-[[2-(3-hydroxyphenyl)ethyl-methylamino]methyl]-5,6,7,8-tetrahydronaphthalen-2-ol;hydrochloride?
The canonical SMILES for 5-[[2-(3-hydroxyphenyl)ethyl-methylamino]methyl]-5,6,7,8-tetrahydronaphthalen-2-ol;hydrochloride is CN(CCc1cccc(O)c1)CC1CCCc2cc(O)ccc21.Cl.
What is the InChIKey of 5-[[2-(3-hydroxyphenyl)ethyl-methylamino]methyl]-5,6,7,8-tetrahydronaphthalen-2-ol;hydrochloride?
The InChIKey is PGIHMSDUSCWORZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO2.ClH/c1-21(11-10-15-4-2-7-18(22)12-15)14-17-6-3-5-16-13-19(23)8-9-20(16)17;/h2,4,7-9,12-13,17,22-23H,3,5-6,10-11,14H2,1H3;1H.
What are the key properties of 5-[[2-(3-hydroxyphenyl)ethyl-methylamino]methyl]-5,6,7,8-tetrahydronaphthalen-2-ol;hydrochloride?
5-[[2-(3-hydroxyphenyl)ethyl-methylamino]methyl]-5,6,7,8-tetrahydronaphthalen-2-ol;hydrochloride has a molecular weight of 347.89 g/mol, XLogP of 4.11, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(3-hydroxyphenyl)ethyl-methylamino]methyl]-5,6,7,8-tetrahydronaphthalen-2-ol;hydrochloride is sourced from PubChem (CID 19882664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).