1,2,3,4-tetrahydronaphthalen-1-ylazanium chloride

C10H14ClN — CID 18955

IUPAC1,2,3,4-tetrahydronaphthalen-1-ylazanium chloride
SMILES[Cl-].[NH3+]C1CCCc2ccccc21
InChIInChI=1S/C10H13N.ClH/c11-10-7-3-5-8-4-1-2-6-9(8)10;/h1-2,4,6,10H,3,5,7,11H2;1H
InChIKeyDETWFIUAXSWCIK-UHFFFAOYSA-N
MW183.68 g/mol
LogP-1.69
Rot. Bonds

About 1,2,3,4-tetrahydronaphthalen-1-ylazanium chloride

1,2,3,4-tetrahydronaphthalen-1-ylazanium chloride (PubChem CID 18955) has the molecular formula C10H14ClN and a molecular weight of 183.68 g/mol. Its IUPAC name is 1,2,3,4-tetrahydronaphthalen-1-ylazanium chloride.

Molecular Properties

Compound Name1,2,3,4-tetrahydronaphthalen-1-ylazanium chloride
PubChem CID18955
Molecular FormulaC10H14ClN
Molecular Weight183.68 g/mol
Exact Mass183.08
IUPAC Name1,2,3,4-tetrahydronaphthalen-1-ylazanium chloride
SMILES[Cl-].[NH3+]C1CCCc2ccccc21
InChIInChI=1S/C10H13N.ClH/c11-10-7-3-5-8-4-1-2-6-9(8)10;/h1-2,4,6,10H,3,5,7,11H2;1H
InChIKeyDETWFIUAXSWCIK-UHFFFAOYSA-N
XLogP-1.69
TPSA27.64 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.68
LogP ≤ 5-1.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,4-tetrahydronaphthalen-1-ylazanium chloride?
The IUPAC name of 1,2,3,4-tetrahydronaphthalen-1-ylazanium chloride (CID 18955) is 1,2,3,4-tetrahydronaphthalen-1-ylazanium chloride.
What is the SMILES notation for 1,2,3,4-tetrahydronaphthalen-1-ylazanium chloride?
The canonical SMILES for 1,2,3,4-tetrahydronaphthalen-1-ylazanium chloride is [Cl-].[NH3+]C1CCCc2ccccc21.
What is the InChIKey of 1,2,3,4-tetrahydronaphthalen-1-ylazanium chloride?
The InChIKey is DETWFIUAXSWCIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N.ClH/c11-10-7-3-5-8-4-1-2-6-9(8)10;/h1-2,4,6,10H,3,5,7,11H2;1H.
What are the key properties of 1,2,3,4-tetrahydronaphthalen-1-ylazanium chloride?
1,2,3,4-tetrahydronaphthalen-1-ylazanium chloride has a molecular weight of 183.68 g/mol, XLogP of -1.69, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4-tetrahydronaphthalen-1-ylazanium chloride is sourced from PubChem (CID 18955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).