[(1S)-1-naphthalen-2-ylethyl]azanium chloride

C12H14ClN — CID 155931519

IUPAC[(1S)-1-naphthalen-2-ylethyl]azanium chloride
SMILESC[C@H]([NH3+])c1ccc2ccccc2c1.[Cl-]
InChIInChI=1S/C12H13N.ClH/c1-9(13)11-7-6-10-4-2-3-5-12(10)8-11;/h2-9H,13H2,1H3;1H/t9-;/m0./s1
InChIKeySVJSCAQZYGXVIL-FVGYRXGTSA-N
MW207.70 g/mol
LogP-0.85
Rot. Bonds1

About [(1S)-1-naphthalen-2-ylethyl]azanium chloride

[(1S)-1-naphthalen-2-ylethyl]azanium chloride (PubChem CID 155931519) has the molecular formula C12H14ClN and a molecular weight of 207.70 g/mol. Its IUPAC name is [(1S)-1-naphthalen-2-ylethyl]azanium chloride.

Molecular Properties

Compound Name[(1S)-1-naphthalen-2-ylethyl]azanium chloride
PubChem CID155931519
Molecular FormulaC12H14ClN
Molecular Weight207.70 g/mol
Exact Mass207.08
IUPAC Name[(1S)-1-naphthalen-2-ylethyl]azanium chloride
SMILESC[C@H]([NH3+])c1ccc2ccccc2c1.[Cl-]
InChIInChI=1S/C12H13N.ClH/c1-9(13)11-7-6-10-4-2-3-5-12(10)8-11;/h2-9H,13H2,1H3;1H/t9-;/m0./s1
InChIKeySVJSCAQZYGXVIL-FVGYRXGTSA-N
XLogP-0.85
TPSA27.64 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.70
LogP ≤ 5-0.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Related Compounds

ethane;2-propan-2-ylnaphthalene
CID 142226111
[(1R)-1-naphthalen-2-ylethyl]azanium benzoate
CID 139198203
2-propan-2-ylpentacene
CID 153380535
2-(dinaphthalen-2-ylmethyl)naphthalene;ethane;naphthalene;bis(2-(1-naphthalen-2-ylethyl)naphthalene)
CID 158656966
cumene;ethane;methane;2-propan-2-ylnaphthalene
CID 158431045
2,6-di(propan-2-yl)naphthalene;ethane
CID 142320223
1-naphthalen-2-ylethanethiol
CID 11672816
1-naphthalen-2-ylethanamine
CID 3857145
3-naphthalen-2-ylbutan-2-amine
CID 66436107
methyl-[(1R)-1-naphthalen-2-ylethyl]azanide
CID 59298029
trimethyl-[(1S)-1-naphthalen-2-ylethyl]azanium
CID 71541621
1-naphthalen-2-ylethylphosphonous acid
CID 145437029

Frequently Asked Questions

What is the IUPAC name of [(1S)-1-naphthalen-2-ylethyl]azanium chloride?
The IUPAC name of [(1S)-1-naphthalen-2-ylethyl]azanium chloride (CID 155931519) is [(1S)-1-naphthalen-2-ylethyl]azanium chloride.
What is the SMILES notation for [(1S)-1-naphthalen-2-ylethyl]azanium chloride?
The canonical SMILES for [(1S)-1-naphthalen-2-ylethyl]azanium chloride is C[C@H]([NH3+])c1ccc2ccccc2c1.[Cl-].
What is the InChIKey of [(1S)-1-naphthalen-2-ylethyl]azanium chloride?
The InChIKey is SVJSCAQZYGXVIL-FVGYRXGTSA-N. The full InChI is InChI=1S/C12H13N.ClH/c1-9(13)11-7-6-10-4-2-3-5-12(10)8-11;/h2-9H,13H2,1H3;1H/t9-;/m0./s1.
What are the key properties of [(1S)-1-naphthalen-2-ylethyl]azanium chloride?
[(1S)-1-naphthalen-2-ylethyl]azanium chloride has a molecular weight of 207.70 g/mol, XLogP of -0.85, 1 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-1-naphthalen-2-ylethyl]azanium chloride is sourced from PubChem (CID 155931519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).