2-[(2-chlorophenyl)methyl]-1-ethylguanidine

C10H14ClN3 — CID 62364154

IUPAC2-[(2-chlorophenyl)methyl]-1-ethylguanidine
SMILESCCN/C(N)=N/Cc1ccccc1Cl
InChIInChI=1S/C10H14ClN3/c1-2-13-10(12)14-7-8-5-3-4-6-9(8)11/h3-6H,2,7H2,1H3,(H3,12,13,14)
InChIKeyTWPXLXGLGBVPTE-UHFFFAOYSA-N
MW211.70 g/mol
LogP1.76
Rot. Bonds3

About 2-[(2-chlorophenyl)methyl]-1-ethylguanidine

2-[(2-chlorophenyl)methyl]-1-ethylguanidine (PubChem CID 62364154) has the molecular formula C10H14ClN3 and a molecular weight of 211.70 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methyl]-1-ethylguanidine.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methyl]-1-ethylguanidine
PubChem CID62364154
Molecular FormulaC10H14ClN3
Molecular Weight211.70 g/mol
Exact Mass211.09
IUPAC Name2-[(2-chlorophenyl)methyl]-1-ethylguanidine
SMILESCCN/C(N)=N/Cc1ccccc1Cl
InChIInChI=1S/C10H14ClN3/c1-2-13-10(12)14-7-8-5-3-4-6-9(8)11/h3-6H,2,7H2,1H3,(H3,12,13,14)
InChIKeyTWPXLXGLGBVPTE-UHFFFAOYSA-N
XLogP1.76
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.70
LogP ≤ 51.76
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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Related Compounds

2-[(2-chlorophenyl)methyl]-1,3-diethylguanidine;hydroiodide
CID 110924859
2-[(2,4-dichlorophenyl)methyl]-1-ethylguanidine
CID 111024875
2-[[2-(ethoxymethyl)phenyl]methyl]-1-ethylguanidine
CID 55063954
2-[(2-chlorophenyl)methyl]-1-cyclopropylguanidine
CID 62364373
N'-[(2-chlorophenyl)methyl]-N-ethylpyrrolidine-1-carboximidamide
CID 110955946
3-[[N'-[(2-chlorophenyl)methyl]-N-ethylcarbamimidoyl]amino]-2,2-dimethylpropanamide
CID 111174028
2-[(2-chlorophenyl)methyl]-1-ethyl-3-[(1-hydroxycyclobutyl)methyl]guanidine;hydroiodide
CID 111835464
2-[(2-chlorophenyl)methyl]-1-ethyl-3-[[2-(methoxymethyl)phenyl]methyl]guanidine
CID 111175417
methyl 3-[[N'-[(2-chlorophenyl)methyl]-N-ethylcarbamimidoyl]amino]propanoate
CID 111174386
N'-[(2-chlorophenyl)methyl]cyclopropanecarboximidamide
CID 63174432
1-ethyl-2-[(3-ethyl-2-pyridinyl)methyl]guanidine
CID 82739158
2-[(2-chlorophenyl)methyl]-1-ethyl-3-(5-methoxypentyl)guanidine
CID 111174534

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methyl]-1-ethylguanidine?
The IUPAC name of 2-[(2-chlorophenyl)methyl]-1-ethylguanidine (CID 62364154) is 2-[(2-chlorophenyl)methyl]-1-ethylguanidine.
What is the SMILES notation for 2-[(2-chlorophenyl)methyl]-1-ethylguanidine?
The canonical SMILES for 2-[(2-chlorophenyl)methyl]-1-ethylguanidine is CCN/C(N)=N/Cc1ccccc1Cl.
What is the InChIKey of 2-[(2-chlorophenyl)methyl]-1-ethylguanidine?
The InChIKey is TWPXLXGLGBVPTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3/c1-2-13-10(12)14-7-8-5-3-4-6-9(8)11/h3-6H,2,7H2,1H3,(H3,12,13,14).
What are the key properties of 2-[(2-chlorophenyl)methyl]-1-ethylguanidine?
2-[(2-chlorophenyl)methyl]-1-ethylguanidine has a molecular weight of 211.70 g/mol, XLogP of 1.76, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)methyl]-1-ethylguanidine is sourced from PubChem (CID 62364154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).