3-chloro-8-(3-chlorophenyl)-6-(dimethylamino)-5,6,7,8-tetrahydronaphthalen-2-ol

C18H19Cl2NO — CID 75282874

IUPAC3-chloro-8-(3-chlorophenyl)-6-(dimethylamino)-5,6,7,8-tetrahydronaphthalen-2-ol
SMILESCN(C)C1Cc2cc(Cl)c(O)cc2C(c2cccc(Cl)c2)C1
InChIInChI=1S/C18H19Cl2NO/c1-21(2)14-7-12-8-17(20)18(22)10-16(12)15(9-14)11-4-3-5-13(19)6-11/h3-6,8,10,14-15,22H,7,9H2,1-2H3
InChIKeyLJRKMONLSXFRSA-UHFFFAOYSA-N
MW336.26 g/mol
LogP4.71
Rot. Bonds2

About 3-chloro-8-(3-chlorophenyl)-6-(dimethylamino)-5,6,7,8-tetrahydronaphthalen-2-ol

3-chloro-8-(3-chlorophenyl)-6-(dimethylamino)-5,6,7,8-tetrahydronaphthalen-2-ol (PubChem CID 75282874) has the molecular formula C18H19Cl2NO and a molecular weight of 336.26 g/mol. Its IUPAC name is 3-chloro-8-(3-chlorophenyl)-6-(dimethylamino)-5,6,7,8-tetrahydronaphthalen-2-ol.

Molecular Properties

Compound Name3-chloro-8-(3-chlorophenyl)-6-(dimethylamino)-5,6,7,8-tetrahydronaphthalen-2-ol
PubChem CID75282874
Molecular FormulaC18H19Cl2NO
Molecular Weight336.26 g/mol
Exact Mass335.08
IUPAC Name3-chloro-8-(3-chlorophenyl)-6-(dimethylamino)-5,6,7,8-tetrahydronaphthalen-2-ol
SMILESCN(C)C1Cc2cc(Cl)c(O)cc2C(c2cccc(Cl)c2)C1
InChIInChI=1S/C18H19Cl2NO/c1-21(2)14-7-12-8-17(20)18(22)10-16(12)15(9-14)11-4-3-5-13(19)6-11/h3-6,8,10,14-15,22H,7,9H2,1-2H3
InChIKeyLJRKMONLSXFRSA-UHFFFAOYSA-N
XLogP4.71
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.26
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Ecopipam
CID 107930
Ecopipam Hydrochloride
CID 170317
R-(+)-8-chloro-2,3,4,5-tetrahydro-3-methyl-5-phenyl-1H-3-benzazepine-7-ol
CID 3036864
7-Chloro-3-methyl-1-phenyl-1,2,4,5-tetrahydro-3-benzazepin-8-ol
CID 5018
SCH-23390 hydrochloride
CID 11957535
(1S)-7-chloro-3-methyl-1-phenyl-1,2,4,5-tetrahydro-3-benzazepin-8-ol
CID 6603800
4-Chloro-3-hydroxy-7-methyl-5,6,7,8,9,14-hexahydrodibenzo[d,g]azecine
CID 11681599
8-Chloro-3-methyl-5-o-tolyl-2,3,4,5-tetrahydro-1H-benzo[d]azepin-7-ol
CID 14787971
cis-3-Chloro-6-dimethylamino-8-phenyl-5,6,7,8-tetrahydro-naphthalen-2-ol; hydrochloride
CID 15657202
(6S,8R)-3-chloro-6-(dimethylamino)-8-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol
CID 15657204
(6aS,13bS)-11-chloro-7-methyl-5,6,6a,8,9,13b-hexahydronaphtho[1,2-a][3]benzazepine-4,12-diol
CID 46231784
SCH 39166 hydrobromide
CID 16759171

Frequently Asked Questions

What is the IUPAC name of 3-chloro-8-(3-chlorophenyl)-6-(dimethylamino)-5,6,7,8-tetrahydronaphthalen-2-ol?
The IUPAC name of 3-chloro-8-(3-chlorophenyl)-6-(dimethylamino)-5,6,7,8-tetrahydronaphthalen-2-ol (CID 75282874) is 3-chloro-8-(3-chlorophenyl)-6-(dimethylamino)-5,6,7,8-tetrahydronaphthalen-2-ol.
What is the SMILES notation for 3-chloro-8-(3-chlorophenyl)-6-(dimethylamino)-5,6,7,8-tetrahydronaphthalen-2-ol?
The canonical SMILES for 3-chloro-8-(3-chlorophenyl)-6-(dimethylamino)-5,6,7,8-tetrahydronaphthalen-2-ol is CN(C)C1Cc2cc(Cl)c(O)cc2C(c2cccc(Cl)c2)C1.
What is the InChIKey of 3-chloro-8-(3-chlorophenyl)-6-(dimethylamino)-5,6,7,8-tetrahydronaphthalen-2-ol?
The InChIKey is LJRKMONLSXFRSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19Cl2NO/c1-21(2)14-7-12-8-17(20)18(22)10-16(12)15(9-14)11-4-3-5-13(19)6-11/h3-6,8,10,14-15,22H,7,9H2,1-2H3.
What are the key properties of 3-chloro-8-(3-chlorophenyl)-6-(dimethylamino)-5,6,7,8-tetrahydronaphthalen-2-ol?
3-chloro-8-(3-chlorophenyl)-6-(dimethylamino)-5,6,7,8-tetrahydronaphthalen-2-ol has a molecular weight of 336.26 g/mol, XLogP of 4.71, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-8-(3-chlorophenyl)-6-(dimethylamino)-5,6,7,8-tetrahydronaphthalen-2-ol is sourced from PubChem (CID 75282874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).