[(1R,4R)-4-(methylamino)-1,2,3,4-tetrahydronaphthalen-1-yl] acetate

C13H17NO2 — CID 67461460

IUPAC[(1R,4R)-4-(methylamino)-1,2,3,4-tetrahydronaphthalen-1-yl] acetate
SMILESCN[C@@H]1CC[C@@H](OC(C)=O)c2ccccc21
InChIInChI=1S/C13H17NO2/c1-9(15)16-13-8-7-12(14-2)10-5-3-4-6-11(10)13/h3-6,12-14H,7-8H2,1-2H3/t12-,13-/m1/s1
InChIKeyXTJSSTIYMBPLJF-CHWSQXEVSA-N
MW219.28 g/mol
LogP2.35
Rot. Bonds2

About [(1R,4R)-4-(methylamino)-1,2,3,4-tetrahydronaphthalen-1-yl] acetate

[(1R,4R)-4-(methylamino)-1,2,3,4-tetrahydronaphthalen-1-yl] acetate (PubChem CID 67461460) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is [(1R,4R)-4-(methylamino)-1,2,3,4-tetrahydronaphthalen-1-yl] acetate.

Molecular Properties

Compound Name[(1R,4R)-4-(methylamino)-1,2,3,4-tetrahydronaphthalen-1-yl] acetate
PubChem CID67461460
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name[(1R,4R)-4-(methylamino)-1,2,3,4-tetrahydronaphthalen-1-yl] acetate
SMILESCN[C@@H]1CC[C@@H](OC(C)=O)c2ccccc21
InChIInChI=1S/C13H17NO2/c1-9(15)16-13-8-7-12(14-2)10-5-3-4-6-11(10)13/h3-6,12-14H,7-8H2,1-2H3/t12-,13-/m1/s1
InChIKeyXTJSSTIYMBPLJF-CHWSQXEVSA-N
XLogP2.35
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(1R,4R)-4-(methylamino)-1,2,3,4-tetrahydronaphthalen-1-yl] acetate?
The IUPAC name of [(1R,4R)-4-(methylamino)-1,2,3,4-tetrahydronaphthalen-1-yl] acetate (CID 67461460) is [(1R,4R)-4-(methylamino)-1,2,3,4-tetrahydronaphthalen-1-yl] acetate.
What is the SMILES notation for [(1R,4R)-4-(methylamino)-1,2,3,4-tetrahydronaphthalen-1-yl] acetate?
The canonical SMILES for [(1R,4R)-4-(methylamino)-1,2,3,4-tetrahydronaphthalen-1-yl] acetate is CN[C@@H]1CC[C@@H](OC(C)=O)c2ccccc21.
What is the InChIKey of [(1R,4R)-4-(methylamino)-1,2,3,4-tetrahydronaphthalen-1-yl] acetate?
The InChIKey is XTJSSTIYMBPLJF-CHWSQXEVSA-N. The full InChI is InChI=1S/C13H17NO2/c1-9(15)16-13-8-7-12(14-2)10-5-3-4-6-11(10)13/h3-6,12-14H,7-8H2,1-2H3/t12-,13-/m1/s1.
What are the key properties of [(1R,4R)-4-(methylamino)-1,2,3,4-tetrahydronaphthalen-1-yl] acetate?
[(1R,4R)-4-(methylamino)-1,2,3,4-tetrahydronaphthalen-1-yl] acetate has a molecular weight of 219.28 g/mol, XLogP of 2.35, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,4R)-4-(methylamino)-1,2,3,4-tetrahydronaphthalen-1-yl] acetate is sourced from PubChem (CID 67461460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).