2-[8-(methylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]ethanol

C13H19NO — CID 140546210

IUPAC2-[8-(methylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]ethanol
SMILESCNC1CCCc2ccc(CCO)cc21
InChIInChI=1S/C13H19NO/c1-14-13-4-2-3-11-6-5-10(7-8-15)9-12(11)13/h5-6,9,13-15H,2-4,7-8H2,1H3
InChIKeyDDAYPSKYPSJANQ-UHFFFAOYSA-N
MW205.30 g/mol
LogP1.82
Rot. Bonds3

About 2-[8-(methylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]ethanol

2-[8-(methylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]ethanol (PubChem CID 140546210) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 2-[8-(methylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]ethanol.

Molecular Properties

Compound Name2-[8-(methylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]ethanol
PubChem CID140546210
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name2-[8-(methylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]ethanol
SMILESCNC1CCCc2ccc(CCO)cc21
InChIInChI=1S/C13H19NO/c1-14-13-4-2-3-11-6-5-10(7-8-15)9-12(11)13/h5-6,9,13-15H,2-4,7-8H2,1H3
InChIKeyDDAYPSKYPSJANQ-UHFFFAOYSA-N
XLogP1.82
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[8-(methylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]ethanol?
The IUPAC name of 2-[8-(methylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]ethanol (CID 140546210) is 2-[8-(methylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]ethanol.
What is the SMILES notation for 2-[8-(methylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]ethanol?
The canonical SMILES for 2-[8-(methylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]ethanol is CNC1CCCc2ccc(CCO)cc21.
What is the InChIKey of 2-[8-(methylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]ethanol?
The InChIKey is DDAYPSKYPSJANQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-14-13-4-2-3-11-6-5-10(7-8-15)9-12(11)13/h5-6,9,13-15H,2-4,7-8H2,1H3.
What are the key properties of 2-[8-(methylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]ethanol?
2-[8-(methylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]ethanol has a molecular weight of 205.30 g/mol, XLogP of 1.82, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[8-(methylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]ethanol is sourced from PubChem (CID 140546210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).