[(1R)-1-naphthalen-2-ylethyl]azanium benzoate

C19H19NO2 — CID 139198203

IUPAC[(1R)-1-naphthalen-2-ylethyl]azanium benzoate
SMILESC[C@@H]([NH3+])c1ccc2ccccc2c1.O=C([O-])c1ccccc1
InChIInChI=1S/C12H13N.C7H6O2/c1-9(13)11-7-6-10-4-2-3-5-12(10)8-11;8-7(9)6-4-2-1-3-5-6/h2-9H,13H2,1H3;1-5H,(H,8,9)/t9-;/m1./s1
InChIKeyXELIHNLJMMOXMU-SBSPUUFOSA-N
MW293.37 g/mol
LogP2.19
Rot. Bonds2

About [(1R)-1-naphthalen-2-ylethyl]azanium benzoate

[(1R)-1-naphthalen-2-ylethyl]azanium benzoate (PubChem CID 139198203) has the molecular formula C19H19NO2 and a molecular weight of 293.37 g/mol. Its IUPAC name is [(1R)-1-naphthalen-2-ylethyl]azanium benzoate.

Molecular Properties

Compound Name[(1R)-1-naphthalen-2-ylethyl]azanium benzoate
PubChem CID139198203
Molecular FormulaC19H19NO2
Molecular Weight293.37 g/mol
Exact Mass293.14
IUPAC Name[(1R)-1-naphthalen-2-ylethyl]azanium benzoate
SMILESC[C@@H]([NH3+])c1ccc2ccccc2c1.O=C([O-])c1ccccc1
InChIInChI=1S/C12H13N.C7H6O2/c1-9(13)11-7-6-10-4-2-3-5-12(10)8-11;8-7(9)6-4-2-1-3-5-6/h2-9H,13H2,1H3;1-5H,(H,8,9)/t9-;/m1./s1
InChIKeyXELIHNLJMMOXMU-SBSPUUFOSA-N
XLogP2.19
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(1S)-1-naphthalen-2-ylethyl]azanium chloride
CID 155931519
ethane;benzoate
CID 90830280
3-hydroxy-2-methyl-3-naphthalen-2-yl-1-phenylpropan-1-one
CID 12012921
[(1S)-1-naphthalen-2-ylethyl] benzoate
CID 10683869
ethane;2-propan-2-ylnaphthalene
CID 142226111
di(propan-2-yl)azanium;naphthalene-2-carboxylate
CID 21407073
potassium naphthalene-2-carboxylate
CID 23664129
mercury(2+);bis(naphthalene-2-carboxylate)
CID 22604304
bis(naphthalene-2-carboxylate);nickel(2+)
CID 14647680
fluoromethane benzoate
CID 162095004
(3S)-3-naphthalen-2-ylbutanoic acid
CID 11350489
cerium(3+) tribenzoate
CID 6452877

Frequently Asked Questions

What is the IUPAC name of [(1R)-1-naphthalen-2-ylethyl]azanium benzoate?
The IUPAC name of [(1R)-1-naphthalen-2-ylethyl]azanium benzoate (CID 139198203) is [(1R)-1-naphthalen-2-ylethyl]azanium benzoate.
What is the SMILES notation for [(1R)-1-naphthalen-2-ylethyl]azanium benzoate?
The canonical SMILES for [(1R)-1-naphthalen-2-ylethyl]azanium benzoate is C[C@@H]([NH3+])c1ccc2ccccc2c1.O=C([O-])c1ccccc1.
What is the InChIKey of [(1R)-1-naphthalen-2-ylethyl]azanium benzoate?
The InChIKey is XELIHNLJMMOXMU-SBSPUUFOSA-N. The full InChI is InChI=1S/C12H13N.C7H6O2/c1-9(13)11-7-6-10-4-2-3-5-12(10)8-11;8-7(9)6-4-2-1-3-5-6/h2-9H,13H2,1H3;1-5H,(H,8,9)/t9-;/m1./s1.
What are the key properties of [(1R)-1-naphthalen-2-ylethyl]azanium benzoate?
[(1R)-1-naphthalen-2-ylethyl]azanium benzoate has a molecular weight of 293.37 g/mol, XLogP of 2.19, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-naphthalen-2-ylethyl]azanium benzoate is sourced from PubChem (CID 139198203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).