(6R,8S)-3-chloro-6-(dimethylamino)-8-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol;hydrochloride

C18H21Cl2NO — CID 45261009

IUPAC(6R,8S)-3-chloro-6-(dimethylamino)-8-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol;hydrochloride
SMILESCN(C)[C@H]1Cc2cc(Cl)c(O)cc2[C@H](c2ccccc2)C1.Cl
InChIInChI=1S/C18H20ClNO.ClH/c1-20(2)14-8-13-9-17(19)18(21)11-16(13)15(10-14)12-6-4-3-5-7-12;/h3-7,9,11,14-15,21H,8,10H2,1-2H3;1H/t14-,15-;/m0./s1
InChIKeyAWIZMZVQCVTGGG-YYLIZZNMSA-N
MW338.28 g/mol
LogP4.48
Rot. Bonds2

About (6R,8S)-3-chloro-6-(dimethylamino)-8-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol;hydrochloride

(6R,8S)-3-chloro-6-(dimethylamino)-8-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol;hydrochloride (PubChem CID 45261009) has the molecular formula C18H21Cl2NO and a molecular weight of 338.28 g/mol. Its IUPAC name is (6R,8S)-3-chloro-6-(dimethylamino)-8-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol;hydrochloride.

Molecular Properties

Compound Name(6R,8S)-3-chloro-6-(dimethylamino)-8-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol;hydrochloride
PubChem CID45261009
Molecular FormulaC18H21Cl2NO
Molecular Weight338.28 g/mol
Exact Mass337.10
IUPAC Name(6R,8S)-3-chloro-6-(dimethylamino)-8-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol;hydrochloride
SMILESCN(C)[C@H]1Cc2cc(Cl)c(O)cc2[C@H](c2ccccc2)C1.Cl
InChIInChI=1S/C18H20ClNO.ClH/c1-20(2)14-8-13-9-17(19)18(21)11-16(13)15(10-14)12-6-4-3-5-7-12;/h3-7,9,11,14-15,21H,8,10H2,1-2H3;1H/t14-,15-;/m0./s1
InChIKeyAWIZMZVQCVTGGG-YYLIZZNMSA-N
XLogP4.48
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.28
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (6R,8S)-3-chloro-6-(dimethylamino)-8-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol;hydrochloride?
The IUPAC name of (6R,8S)-3-chloro-6-(dimethylamino)-8-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol;hydrochloride (CID 45261009) is (6R,8S)-3-chloro-6-(dimethylamino)-8-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol;hydrochloride.
What is the SMILES notation for (6R,8S)-3-chloro-6-(dimethylamino)-8-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol;hydrochloride?
The canonical SMILES for (6R,8S)-3-chloro-6-(dimethylamino)-8-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol;hydrochloride is CN(C)[C@H]1Cc2cc(Cl)c(O)cc2[C@H](c2ccccc2)C1.Cl.
What is the InChIKey of (6R,8S)-3-chloro-6-(dimethylamino)-8-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol;hydrochloride?
The InChIKey is AWIZMZVQCVTGGG-YYLIZZNMSA-N. The full InChI is InChI=1S/C18H20ClNO.ClH/c1-20(2)14-8-13-9-17(19)18(21)11-16(13)15(10-14)12-6-4-3-5-7-12;/h3-7,9,11,14-15,21H,8,10H2,1-2H3;1H/t14-,15-;/m0./s1.
What are the key properties of (6R,8S)-3-chloro-6-(dimethylamino)-8-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol;hydrochloride?
(6R,8S)-3-chloro-6-(dimethylamino)-8-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol;hydrochloride has a molecular weight of 338.28 g/mol, XLogP of 4.48, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6R,8S)-3-chloro-6-(dimethylamino)-8-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol;hydrochloride is sourced from PubChem (CID 45261009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).