2-(2-phenylethyl)guanidine;hydrochloride

C9H14ClN3 — CID 13398163

IUPAC2-(2-phenylethyl)guanidine;hydrochloride
SMILESCl.NC(N)=NCCc1ccccc1
InChIInChI=1S/C9H13N3.ClH/c10-9(11)12-7-6-8-4-2-1-3-5-8;/h1-5H,6-7H2,(H4,10,11,12);1H
InChIKeyAWWYTNWPJVYYMH-UHFFFAOYSA-N
MW199.69 g/mol
LogP0.92
Rot. Bonds3

About 2-(2-phenylethyl)guanidine;hydrochloride

2-(2-phenylethyl)guanidine;hydrochloride (PubChem CID 13398163) has the molecular formula C9H14ClN3 and a molecular weight of 199.69 g/mol. Its IUPAC name is 2-(2-phenylethyl)guanidine;hydrochloride.

Molecular Properties

Compound Name2-(2-phenylethyl)guanidine;hydrochloride
PubChem CID13398163
Molecular FormulaC9H14ClN3
Molecular Weight199.69 g/mol
Exact Mass199.09
IUPAC Name2-(2-phenylethyl)guanidine;hydrochloride
SMILESCl.NC(N)=NCCc1ccccc1
InChIInChI=1S/C9H13N3.ClH/c10-9(11)12-7-6-8-4-2-1-3-5-8;/h1-5H,6-7H2,(H4,10,11,12);1H
InChIKeyAWWYTNWPJVYYMH-UHFFFAOYSA-N
XLogP0.92
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.69
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-phenylethyl)guanidine;hydrochloride?
The IUPAC name of 2-(2-phenylethyl)guanidine;hydrochloride (CID 13398163) is 2-(2-phenylethyl)guanidine;hydrochloride.
What is the SMILES notation for 2-(2-phenylethyl)guanidine;hydrochloride?
The canonical SMILES for 2-(2-phenylethyl)guanidine;hydrochloride is Cl.NC(N)=NCCc1ccccc1.
What is the InChIKey of 2-(2-phenylethyl)guanidine;hydrochloride?
The InChIKey is AWWYTNWPJVYYMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3.ClH/c10-9(11)12-7-6-8-4-2-1-3-5-8;/h1-5H,6-7H2,(H4,10,11,12);1H.
What are the key properties of 2-(2-phenylethyl)guanidine;hydrochloride?
2-(2-phenylethyl)guanidine;hydrochloride has a molecular weight of 199.69 g/mol, XLogP of 0.92, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenylethyl)guanidine;hydrochloride is sourced from PubChem (CID 13398163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).