12-chlorotetracyclo[8.3.1.18,12.02,7]pentadeca-2,4,6-trien-10-amine;hydrochloride

C15H19Cl2N — CID 118722533

IUPAC12-chlorotetracyclo[8.3.1.18,12.02,7]pentadeca-2,4,6-trien-10-amine;hydrochloride
SMILESCl.NC12CC3CC(Cl)(CC(C1)c1ccccc13)C2
InChIInChI=1S/C15H18ClN.ClH/c16-14-5-10-7-15(17,9-14)8-11(6-14)13-4-2-1-3-12(10)13;/h1-4,10-11H,5-9,17H2;1H
InChIKeyQMYXMCOWKBLVOI-UHFFFAOYSA-N
MW284.23 g/mol
LogP3.94
Rot. Bonds

About 12-chlorotetracyclo[8.3.1.18,12.02,7]pentadeca-2,4,6-trien-10-amine;hydrochloride

12-chlorotetracyclo[8.3.1.18,12.02,7]pentadeca-2,4,6-trien-10-amine;hydrochloride (PubChem CID 118722533) has the molecular formula C15H19Cl2N and a molecular weight of 284.23 g/mol. Its IUPAC name is 12-chlorotetracyclo[8.3.1.18,12.02,7]pentadeca-2,4,6-trien-10-amine;hydrochloride.

Molecular Properties

Compound Name12-chlorotetracyclo[8.3.1.18,12.02,7]pentadeca-2,4,6-trien-10-amine;hydrochloride
PubChem CID118722533
Molecular FormulaC15H19Cl2N
Molecular Weight284.23 g/mol
Exact Mass283.09
IUPAC Name12-chlorotetracyclo[8.3.1.18,12.02,7]pentadeca-2,4,6-trien-10-amine;hydrochloride
SMILESCl.NC12CC3CC(Cl)(CC(C1)c1ccccc13)C2
InChIInChI=1S/C15H18ClN.ClH/c16-14-5-10-7-15(17,9-14)8-11(6-14)13-4-2-1-3-12(10)13;/h1-4,10-11H,5-9,17H2;1H
InChIKeyQMYXMCOWKBLVOI-UHFFFAOYSA-N
XLogP3.94
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.23
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 12-chlorotetracyclo[8.3.1.18,12.02,7]pentadeca-2,4,6-trien-10-amine;hydrochloride?
The IUPAC name of 12-chlorotetracyclo[8.3.1.18,12.02,7]pentadeca-2,4,6-trien-10-amine;hydrochloride (CID 118722533) is 12-chlorotetracyclo[8.3.1.18,12.02,7]pentadeca-2,4,6-trien-10-amine;hydrochloride.
What is the SMILES notation for 12-chlorotetracyclo[8.3.1.18,12.02,7]pentadeca-2,4,6-trien-10-amine;hydrochloride?
The canonical SMILES for 12-chlorotetracyclo[8.3.1.18,12.02,7]pentadeca-2,4,6-trien-10-amine;hydrochloride is Cl.NC12CC3CC(Cl)(CC(C1)c1ccccc13)C2.
What is the InChIKey of 12-chlorotetracyclo[8.3.1.18,12.02,7]pentadeca-2,4,6-trien-10-amine;hydrochloride?
The InChIKey is QMYXMCOWKBLVOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN.ClH/c16-14-5-10-7-15(17,9-14)8-11(6-14)13-4-2-1-3-12(10)13;/h1-4,10-11H,5-9,17H2;1H.
What are the key properties of 12-chlorotetracyclo[8.3.1.18,12.02,7]pentadeca-2,4,6-trien-10-amine;hydrochloride?
12-chlorotetracyclo[8.3.1.18,12.02,7]pentadeca-2,4,6-trien-10-amine;hydrochloride has a molecular weight of 284.23 g/mol, XLogP of 3.94, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 12-chlorotetracyclo[8.3.1.18,12.02,7]pentadeca-2,4,6-trien-10-amine;hydrochloride is sourced from PubChem (CID 118722533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).