3-chloro-6-(methylamino)-8-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol

C17H18ClNO — CID 15657207

IUPAC3-chloro-6-(methylamino)-8-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol
SMILESCNC1Cc2cc(Cl)c(O)cc2C(c2ccccc2)C1
InChIInChI=1S/C17H18ClNO/c1-19-13-7-12-8-16(18)17(20)10-15(12)14(9-13)11-5-3-2-4-6-11/h2-6,8,10,13-14,19-20H,7,9H2,1H3
InChIKeyXBEPZFYXDLYZOH-UHFFFAOYSA-N
MW287.79 g/mol
LogP3.71
Rot. Bonds2

About 3-chloro-6-(methylamino)-8-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol

3-chloro-6-(methylamino)-8-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol (PubChem CID 15657207) has the molecular formula C17H18ClNO and a molecular weight of 287.79 g/mol. Its IUPAC name is 3-chloro-6-(methylamino)-8-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol.

Molecular Properties

Compound Name3-chloro-6-(methylamino)-8-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol
PubChem CID15657207
Molecular FormulaC17H18ClNO
Molecular Weight287.79 g/mol
Exact Mass287.11
IUPAC Name3-chloro-6-(methylamino)-8-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol
SMILESCNC1Cc2cc(Cl)c(O)cc2C(c2ccccc2)C1
InChIInChI=1S/C17H18ClNO/c1-19-13-7-12-8-16(18)17(20)10-15(12)14(9-13)11-5-3-2-4-6-11/h2-6,8,10,13-14,19-20H,7,9H2,1H3
InChIKeyXBEPZFYXDLYZOH-UHFFFAOYSA-N
XLogP3.71
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.79
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-(methylamino)-8-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol?
The IUPAC name of 3-chloro-6-(methylamino)-8-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol (CID 15657207) is 3-chloro-6-(methylamino)-8-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol.
What is the SMILES notation for 3-chloro-6-(methylamino)-8-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol?
The canonical SMILES for 3-chloro-6-(methylamino)-8-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol is CNC1Cc2cc(Cl)c(O)cc2C(c2ccccc2)C1.
What is the InChIKey of 3-chloro-6-(methylamino)-8-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol?
The InChIKey is XBEPZFYXDLYZOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO/c1-19-13-7-12-8-16(18)17(20)10-15(12)14(9-13)11-5-3-2-4-6-11/h2-6,8,10,13-14,19-20H,7,9H2,1H3.
What are the key properties of 3-chloro-6-(methylamino)-8-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol?
3-chloro-6-(methylamino)-8-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol has a molecular weight of 287.79 g/mol, XLogP of 3.71, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-(methylamino)-8-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol is sourced from PubChem (CID 15657207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).