[(5S)-5-(3,4-dichlorophenyl)-8-(methylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]methanol

C18H19Cl2NO — CID 59274170

IUPAC[(5S)-5-(3,4-dichlorophenyl)-8-(methylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]methanol
SMILESCNC1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccc(CO)cc21
InChIInChI=1S/C18H19Cl2NO/c1-21-18-7-5-13(12-3-6-16(19)17(20)9-12)14-4-2-11(10-22)8-15(14)18/h2-4,6,8-9,13,18,21-22H,5,7,10H2,1H3/t13-,18?/m0/s1
InChIKeyWPEZYNICVOURFR-FVRDMJKUSA-N
MW336.26 g/mol
LogP4.67
Rot. Bonds3

About [(5S)-5-(3,4-dichlorophenyl)-8-(methylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]methanol

[(5S)-5-(3,4-dichlorophenyl)-8-(methylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]methanol (PubChem CID 59274170) has the molecular formula C18H19Cl2NO and a molecular weight of 336.26 g/mol. Its IUPAC name is [(5S)-5-(3,4-dichlorophenyl)-8-(methylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]methanol.

Molecular Properties

Compound Name[(5S)-5-(3,4-dichlorophenyl)-8-(methylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]methanol
PubChem CID59274170
Molecular FormulaC18H19Cl2NO
Molecular Weight336.26 g/mol
Exact Mass335.08
IUPAC Name[(5S)-5-(3,4-dichlorophenyl)-8-(methylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]methanol
SMILESCNC1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccc(CO)cc21
InChIInChI=1S/C18H19Cl2NO/c1-21-18-7-5-13(12-3-6-16(19)17(20)9-12)14-4-2-11(10-22)8-15(14)18/h2-4,6,8-9,13,18,21-22H,5,7,10H2,1H3/t13-,18?/m0/s1
InChIKeyWPEZYNICVOURFR-FVRDMJKUSA-N
XLogP4.67
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.26
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(5S)-5-(3,4-dichlorophenyl)-8-(methylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]methanol?
The IUPAC name of [(5S)-5-(3,4-dichlorophenyl)-8-(methylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]methanol (CID 59274170) is [(5S)-5-(3,4-dichlorophenyl)-8-(methylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]methanol.
What is the SMILES notation for [(5S)-5-(3,4-dichlorophenyl)-8-(methylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]methanol?
The canonical SMILES for [(5S)-5-(3,4-dichlorophenyl)-8-(methylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]methanol is CNC1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccc(CO)cc21.
What is the InChIKey of [(5S)-5-(3,4-dichlorophenyl)-8-(methylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]methanol?
The InChIKey is WPEZYNICVOURFR-FVRDMJKUSA-N. The full InChI is InChI=1S/C18H19Cl2NO/c1-21-18-7-5-13(12-3-6-16(19)17(20)9-12)14-4-2-11(10-22)8-15(14)18/h2-4,6,8-9,13,18,21-22H,5,7,10H2,1H3/t13-,18?/m0/s1.
What are the key properties of [(5S)-5-(3,4-dichlorophenyl)-8-(methylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]methanol?
[(5S)-5-(3,4-dichlorophenyl)-8-(methylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]methanol has a molecular weight of 336.26 g/mol, XLogP of 4.67, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(5S)-5-(3,4-dichlorophenyl)-8-(methylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]methanol is sourced from PubChem (CID 59274170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).