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

C18H20ClNO — CID 15657204

IUPAC(6S,8R)-3-chloro-6-(dimethylamino)-8-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol
SMILESCN(C)[C@@H]1Cc2cc(Cl)c(O)cc2[C@@H](c2ccccc2)C1
InChIInChI=1S/C18H20ClNO/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/t14-,15-/m1/s1
InChIKeyXZCKHECUBFUSAR-HUUCEWRRSA-N
MW301.82 g/mol
LogP4.05
Rot. Bonds2

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

(6S,8R)-3-chloro-6-(dimethylamino)-8-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol (PubChem CID 15657204) has the molecular formula C18H20ClNO and a molecular weight of 301.82 g/mol. Its IUPAC name is (6S,8R)-3-chloro-6-(dimethylamino)-8-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol.

Molecular Properties

Compound Name(6S,8R)-3-chloro-6-(dimethylamino)-8-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol
PubChem CID15657204
Molecular FormulaC18H20ClNO
Molecular Weight301.82 g/mol
Exact Mass301.12
IUPAC Name(6S,8R)-3-chloro-6-(dimethylamino)-8-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol
SMILESCN(C)[C@@H]1Cc2cc(Cl)c(O)cc2[C@@H](c2ccccc2)C1
InChIInChI=1S/C18H20ClNO/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/t14-,15-/m1/s1
InChIKeyXZCKHECUBFUSAR-HUUCEWRRSA-N
XLogP4.05
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.82
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (6S,8R)-3-chloro-6-(dimethylamino)-8-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol?
The IUPAC name of (6S,8R)-3-chloro-6-(dimethylamino)-8-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol (CID 15657204) is (6S,8R)-3-chloro-6-(dimethylamino)-8-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol.
What is the SMILES notation for (6S,8R)-3-chloro-6-(dimethylamino)-8-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol?
The canonical SMILES for (6S,8R)-3-chloro-6-(dimethylamino)-8-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol is CN(C)[C@@H]1Cc2cc(Cl)c(O)cc2[C@@H](c2ccccc2)C1.
What is the InChIKey of (6S,8R)-3-chloro-6-(dimethylamino)-8-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol?
The InChIKey is XZCKHECUBFUSAR-HUUCEWRRSA-N. The full InChI is InChI=1S/C18H20ClNO/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/t14-,15-/m1/s1.
What are the key properties of (6S,8R)-3-chloro-6-(dimethylamino)-8-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol?
(6S,8R)-3-chloro-6-(dimethylamino)-8-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol has a molecular weight of 301.82 g/mol, XLogP of 4.05, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6S,8R)-3-chloro-6-(dimethylamino)-8-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol is sourced from PubChem (CID 15657204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).