2-(3-chlorophenyl)ethyl-methylazanium

C9H13ClN+ — CID 42149679

IUPAC2-(3-chlorophenyl)ethyl-methylazanium
SMILESC[NH2+]CCc1cccc(Cl)c1
InChIInChI=1S/C9H12ClN/c1-11-6-5-8-3-2-4-9(10)7-8/h2-4,7,11H,5-6H2,1H3/p+1
InChIKeyZAIUACXHBBABJZ-UHFFFAOYSA-O
MW170.66 g/mol
LogP1.08
Rot. Bonds3

About 2-(3-chlorophenyl)ethyl-methylazanium

2-(3-chlorophenyl)ethyl-methylazanium (PubChem CID 42149679) has the molecular formula C9H13ClN+ and a molecular weight of 170.66 g/mol. Its IUPAC name is 2-(3-chlorophenyl)ethyl-methylazanium.

Molecular Properties

Compound Name2-(3-chlorophenyl)ethyl-methylazanium
PubChem CID42149679
Molecular FormulaC9H13ClN+
Molecular Weight170.66 g/mol
Exact Mass170.07
IUPAC Name2-(3-chlorophenyl)ethyl-methylazanium
SMILESC[NH2+]CCc1cccc(Cl)c1
InChIInChI=1S/C9H12ClN/c1-11-6-5-8-3-2-4-9(10)7-8/h2-4,7,11H,5-6H2,1H3/p+1
InChIKeyZAIUACXHBBABJZ-UHFFFAOYSA-O
XLogP1.08
TPSA16.61 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.66
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)ethyl-methylazanium?
The IUPAC name of 2-(3-chlorophenyl)ethyl-methylazanium (CID 42149679) is 2-(3-chlorophenyl)ethyl-methylazanium.
What is the SMILES notation for 2-(3-chlorophenyl)ethyl-methylazanium?
The canonical SMILES for 2-(3-chlorophenyl)ethyl-methylazanium is C[NH2+]CCc1cccc(Cl)c1.
What is the InChIKey of 2-(3-chlorophenyl)ethyl-methylazanium?
The InChIKey is ZAIUACXHBBABJZ-UHFFFAOYSA-O. The full InChI is InChI=1S/C9H12ClN/c1-11-6-5-8-3-2-4-9(10)7-8/h2-4,7,11H,5-6H2,1H3/p+1.
What are the key properties of 2-(3-chlorophenyl)ethyl-methylazanium?
2-(3-chlorophenyl)ethyl-methylazanium has a molecular weight of 170.66 g/mol, XLogP of 1.08, 3 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)ethyl-methylazanium is sourced from PubChem (CID 42149679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).