[(1S,2R)-1-benzyl-1,2,3,4-tetrahydronaphthalen-2-yl]azanium chloride

C17H20ClN — CID 11807876

IUPAC[(1S,2R)-1-benzyl-1,2,3,4-tetrahydronaphthalen-2-yl]azanium chloride
SMILES[Cl-].[NH3+][C@@H]1CCc2ccccc2[C@@H]1Cc1ccccc1
InChIInChI=1S/C17H19N.ClH/c18-17-11-10-14-8-4-5-9-15(14)16(17)12-13-6-2-1-3-7-13;/h1-9,16-17H,10-12,18H2;1H/t16-,17+;/m0./s1
InChIKeyWNNPODSKVDUCJA-MCJVGQIASA-N
MW273.81 g/mol
LogP-0.43
Rot. Bonds2

About [(1S,2R)-1-benzyl-1,2,3,4-tetrahydronaphthalen-2-yl]azanium chloride

[(1S,2R)-1-benzyl-1,2,3,4-tetrahydronaphthalen-2-yl]azanium chloride (PubChem CID 11807876) has the molecular formula C17H20ClN and a molecular weight of 273.81 g/mol. Its IUPAC name is [(1S,2R)-1-benzyl-1,2,3,4-tetrahydronaphthalen-2-yl]azanium chloride.

Molecular Properties

Compound Name[(1S,2R)-1-benzyl-1,2,3,4-tetrahydronaphthalen-2-yl]azanium chloride
PubChem CID11807876
Molecular FormulaC17H20ClN
Molecular Weight273.81 g/mol
Exact Mass273.13
IUPAC Name[(1S,2R)-1-benzyl-1,2,3,4-tetrahydronaphthalen-2-yl]azanium chloride
SMILES[Cl-].[NH3+][C@@H]1CCc2ccccc2[C@@H]1Cc1ccccc1
InChIInChI=1S/C17H19N.ClH/c18-17-11-10-14-8-4-5-9-15(14)16(17)12-13-6-2-1-3-7-13;/h1-9,16-17H,10-12,18H2;1H/t16-,17+;/m0./s1
InChIKeyWNNPODSKVDUCJA-MCJVGQIASA-N
XLogP-0.43
TPSA27.64 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.81
LogP ≤ 5-0.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Related Compounds

(1S)-1-benzyl-2,3-dihydro-1H-indene
CID 134957742
1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-amine;dihydrochloride
CID 22037055
(5R,7S)-7-amino-5-benzyl-5,7,8,9-tetrahydrobenzo[7]annulen-6-one;hydrochloride
CID 66560606
1-[(4-fluorophenyl)methyl]-N-(3-phenylpropyl)-1,2,3,4-tetrahydronaphthalen-2-amine;hydrobromide
CID 21251715
(1R,2R)-1-benzyl-N,N-dimethyl-2,3-dihydro-1H-inden-2-amine;hydrochloride
CID 67652082
1-benzyl-N-methyl-2,3-dihydro-1H-inden-2-amine;hydrochloride
CID 23203044
1-[(4-methoxyphenyl)methyl]-2,3-dihydro-1H-indene
CID 101467069
1-[(4-benzylphenyl)methyl]-2,3-dihydro-1H-inden-2-amine;hydrochloride
CID 70058981
[(1S,2R)-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]methanol
CID 10776328
(1S,2S)-1-ethyl-2-methyl-1,2,3,4-tetrahydronaphthalene
CID 163236306
(1R,2S)-1-benzyl-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine
CID 118023139
(1S,2R)-1-benzyl-6-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine
CID 10611903

Frequently Asked Questions

What is the IUPAC name of [(1S,2R)-1-benzyl-1,2,3,4-tetrahydronaphthalen-2-yl]azanium chloride?
The IUPAC name of [(1S,2R)-1-benzyl-1,2,3,4-tetrahydronaphthalen-2-yl]azanium chloride (CID 11807876) is [(1S,2R)-1-benzyl-1,2,3,4-tetrahydronaphthalen-2-yl]azanium chloride.
What is the SMILES notation for [(1S,2R)-1-benzyl-1,2,3,4-tetrahydronaphthalen-2-yl]azanium chloride?
The canonical SMILES for [(1S,2R)-1-benzyl-1,2,3,4-tetrahydronaphthalen-2-yl]azanium chloride is [Cl-].[NH3+][C@@H]1CCc2ccccc2[C@@H]1Cc1ccccc1.
What is the InChIKey of [(1S,2R)-1-benzyl-1,2,3,4-tetrahydronaphthalen-2-yl]azanium chloride?
The InChIKey is WNNPODSKVDUCJA-MCJVGQIASA-N. The full InChI is InChI=1S/C17H19N.ClH/c18-17-11-10-14-8-4-5-9-15(14)16(17)12-13-6-2-1-3-7-13;/h1-9,16-17H,10-12,18H2;1H/t16-,17+;/m0./s1.
What are the key properties of [(1S,2R)-1-benzyl-1,2,3,4-tetrahydronaphthalen-2-yl]azanium chloride?
[(1S,2R)-1-benzyl-1,2,3,4-tetrahydronaphthalen-2-yl]azanium chloride has a molecular weight of 273.81 g/mol, XLogP of -0.43, 2 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2R)-1-benzyl-1,2,3,4-tetrahydronaphthalen-2-yl]azanium chloride is sourced from PubChem (CID 11807876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).