1-(2-chlorophenyl)ethylazanium chloride

C8H11Cl2N — CID 160644474

IUPAC1-(2-chlorophenyl)ethylazanium chloride
SMILESCC([NH3+])c1ccccc1Cl.[Cl-]
InChIInChI=1S/C8H10ClN.ClH/c1-6(10)7-4-2-3-5-8(7)9;/h2-6H,10H2,1H3;1H
InChIKeyZNBDAZNBHBGAOB-UHFFFAOYSA-N
MW192.09 g/mol
LogP-1.35
Rot. Bonds1

About 1-(2-chlorophenyl)ethylazanium chloride

1-(2-chlorophenyl)ethylazanium chloride (PubChem CID 160644474) has the molecular formula C8H11Cl2N and a molecular weight of 192.09 g/mol. Its IUPAC name is 1-(2-chlorophenyl)ethylazanium chloride.

Molecular Properties

Compound Name1-(2-chlorophenyl)ethylazanium chloride
PubChem CID160644474
Molecular FormulaC8H11Cl2N
Molecular Weight192.09 g/mol
Exact Mass191.03
IUPAC Name1-(2-chlorophenyl)ethylazanium chloride
SMILESCC([NH3+])c1ccccc1Cl.[Cl-]
InChIInChI=1S/C8H10ClN.ClH/c1-6(10)7-4-2-3-5-8(7)9;/h2-6H,10H2,1H3;1H
InChIKeyZNBDAZNBHBGAOB-UHFFFAOYSA-N
XLogP-1.35
TPSA27.64 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.09
LogP ≤ 5-1.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Related Compounds

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(1S)-1-(2-chlorophenyl)-N-methylethanamine
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3-(2-chlorophenyl)-2-methylbutanoic acid
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CID 79299181
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Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)ethylazanium chloride?
The IUPAC name of 1-(2-chlorophenyl)ethylazanium chloride (CID 160644474) is 1-(2-chlorophenyl)ethylazanium chloride.
What is the SMILES notation for 1-(2-chlorophenyl)ethylazanium chloride?
The canonical SMILES for 1-(2-chlorophenyl)ethylazanium chloride is CC([NH3+])c1ccccc1Cl.[Cl-].
What is the InChIKey of 1-(2-chlorophenyl)ethylazanium chloride?
The InChIKey is ZNBDAZNBHBGAOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClN.ClH/c1-6(10)7-4-2-3-5-8(7)9;/h2-6H,10H2,1H3;1H.
What are the key properties of 1-(2-chlorophenyl)ethylazanium chloride?
1-(2-chlorophenyl)ethylazanium chloride has a molecular weight of 192.09 g/mol, XLogP of -1.35, 1 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)ethylazanium chloride is sourced from PubChem (CID 160644474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).