phenyl-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)azanium chloride

C16H24ClN — CID 16682066

IUPACphenyl-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)azanium chloride
SMILESCC1(C)C2CCC1(C)C([NH2+]c1ccccc1)C2.[Cl-]
InChIInChI=1S/C16H23N.ClH/c1-15(2)12-9-10-16(15,3)14(11-12)17-13-7-5-4-6-8-13;/h4-8,12,14,17H,9-11H2,1-3H3;1H
InChIKeyZMCBDXJHIQMVJO-UHFFFAOYSA-N
MW265.83 g/mol
LogP0.10
Rot. Bonds2

About phenyl-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)azanium chloride

phenyl-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)azanium chloride (PubChem CID 16682066) has the molecular formula C16H24ClN and a molecular weight of 265.83 g/mol. Its IUPAC name is phenyl-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)azanium chloride.

Molecular Properties

Compound Namephenyl-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)azanium chloride
PubChem CID16682066
Molecular FormulaC16H24ClN
Molecular Weight265.83 g/mol
Exact Mass265.16
IUPAC Namephenyl-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)azanium chloride
SMILESCC1(C)C2CCC1(C)C([NH2+]c1ccccc1)C2.[Cl-]
InChIInChI=1S/C16H23N.ClH/c1-15(2)12-9-10-16(15,3)14(11-12)17-13-7-5-4-6-8-13;/h4-8,12,14,17H,9-11H2,1-3H3;1H
InChIKeyZMCBDXJHIQMVJO-UHFFFAOYSA-N
XLogP0.10
TPSA16.61 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.83
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of phenyl-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)azanium chloride?
The IUPAC name of phenyl-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)azanium chloride (CID 16682066) is phenyl-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)azanium chloride.
What is the SMILES notation for phenyl-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)azanium chloride?
The canonical SMILES for phenyl-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)azanium chloride is CC1(C)C2CCC1(C)C([NH2+]c1ccccc1)C2.[Cl-].
What is the InChIKey of phenyl-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)azanium chloride?
The InChIKey is ZMCBDXJHIQMVJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N.ClH/c1-15(2)12-9-10-16(15,3)14(11-12)17-13-7-5-4-6-8-13;/h4-8,12,14,17H,9-11H2,1-3H3;1H.
What are the key properties of phenyl-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)azanium chloride?
phenyl-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)azanium chloride has a molecular weight of 265.83 g/mol, XLogP of 0.10, 2 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)azanium chloride is sourced from PubChem (CID 16682066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).