dichlorocopper;2-phenylethanamine;hydrochloride

C8H12Cl3CuN — CID 174793680

IUPACdichlorocopper;2-phenylethanamine;hydrochloride
SMILESCl.Cl[Cu]Cl.NCCc1ccccc1
InChIInChI=1S/C8H11N.3ClH.Cu/c9-7-6-8-4-2-1-3-5-8;;;;/h1-5H,6-7,9H2;3*1H;/q;;;;+2/p-2
InChIKeyBQQSFIPFHCKUPU-UHFFFAOYSA-L
MW292.10 g/mol
LogP2.99
Rot. Bonds2

About dichlorocopper;2-phenylethanamine;hydrochloride

dichlorocopper;2-phenylethanamine;hydrochloride (PubChem CID 174793680) has the molecular formula C8H12Cl3CuN and a molecular weight of 292.10 g/mol. Its IUPAC name is dichlorocopper;2-phenylethanamine;hydrochloride.

Molecular Properties

Compound Namedichlorocopper;2-phenylethanamine;hydrochloride
PubChem CID174793680
Molecular FormulaC8H12Cl3CuN
Molecular Weight292.10 g/mol
Exact Mass289.93
IUPAC Namedichlorocopper;2-phenylethanamine;hydrochloride
SMILESCl.Cl[Cu]Cl.NCCc1ccccc1
InChIInChI=1S/C8H11N.3ClH.Cu/c9-7-6-8-4-2-1-3-5-8;;;;/h1-5H,6-7,9H2;3*1H;/q;;;;+2/p-2
InChIKeyBQQSFIPFHCKUPU-UHFFFAOYSA-L
XLogP2.99
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.10
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of dichlorocopper;2-phenylethanamine;hydrochloride?
The IUPAC name of dichlorocopper;2-phenylethanamine;hydrochloride (CID 174793680) is dichlorocopper;2-phenylethanamine;hydrochloride.
What is the SMILES notation for dichlorocopper;2-phenylethanamine;hydrochloride?
The canonical SMILES for dichlorocopper;2-phenylethanamine;hydrochloride is Cl.Cl[Cu]Cl.NCCc1ccccc1.
What is the InChIKey of dichlorocopper;2-phenylethanamine;hydrochloride?
The InChIKey is BQQSFIPFHCKUPU-UHFFFAOYSA-L. The full InChI is InChI=1S/C8H11N.3ClH.Cu/c9-7-6-8-4-2-1-3-5-8;;;;/h1-5H,6-7,9H2;3*1H;/q;;;;+2/p-2.
What are the key properties of dichlorocopper;2-phenylethanamine;hydrochloride?
dichlorocopper;2-phenylethanamine;hydrochloride has a molecular weight of 292.10 g/mol, XLogP of 2.99, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dichlorocopper;2-phenylethanamine;hydrochloride is sourced from PubChem (CID 174793680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).