2-[(2-chlorophenyl)methyl]-1-ethyl-3-[(3-methyl-2-pyridinyl)methyl]guanidine

C17H21ClN4 — CID 111788015

IUPAC2-[(2-chlorophenyl)methyl]-1-ethyl-3-[(3-methyl-2-pyridinyl)methyl]guanidine
SMILESCCN/C(=N\Cc1ccccc1Cl)NCc1ncccc1C
InChIInChI=1S/C17H21ClN4/c1-3-19-17(21-11-14-8-4-5-9-15(14)18)22-12-16-13(2)7-6-10-20-16/h4-10H,3,11-12H2,1-2H3,(H2,19,21,22)
InChIKeyQUBVCKZHOIDAIW-UHFFFAOYSA-N
MW316.84 g/mol
LogP3.30
Rot. Bonds5

About 2-[(2-chlorophenyl)methyl]-1-ethyl-3-[(3-methyl-2-pyridinyl)methyl]guanidine

2-[(2-chlorophenyl)methyl]-1-ethyl-3-[(3-methyl-2-pyridinyl)methyl]guanidine (PubChem CID 111788015) has the molecular formula C17H21ClN4 and a molecular weight of 316.84 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methyl]-1-ethyl-3-[(3-methyl-2-pyridinyl)methyl]guanidine.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methyl]-1-ethyl-3-[(3-methyl-2-pyridinyl)methyl]guanidine
PubChem CID111788015
Molecular FormulaC17H21ClN4
Molecular Weight316.84 g/mol
Exact Mass316.15
IUPAC Name2-[(2-chlorophenyl)methyl]-1-ethyl-3-[(3-methyl-2-pyridinyl)methyl]guanidine
SMILESCCN/C(=N\Cc1ccccc1Cl)NCc1ncccc1C
InChIInChI=1S/C17H21ClN4/c1-3-19-17(21-11-14-8-4-5-9-15(14)18)22-12-16-13(2)7-6-10-20-16/h4-10H,3,11-12H2,1-2H3,(H2,19,21,22)
InChIKeyQUBVCKZHOIDAIW-UHFFFAOYSA-N
XLogP3.30
TPSA49.31 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.84
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

1-ethyl-2-[(2-fluorophenyl)methyl]-3-[(3-methyl-2-pyridinyl)methyl]guanidine
CID 111788339
2-[(2-chlorophenyl)methyl]-1,3-diethylguanidine;hydroiodide
CID 110924859
1-[(2-chlorophenyl)methyl]-2-[(2-ethoxy-3-pyridinyl)methyl]-3-ethylguanidine
CID 111175173
2-[(2-chlorophenyl)methyl]-1-ethyl-3-[(6-methyl-2-pyridinyl)methyl]guanidine
CID 111175645
2-[(2-chlorophenyl)methyl]-1-ethyl-3-[(2-methylpyrazol-3-yl)methyl]guanidine
CID 111173902
2-[(2-chlorophenyl)methyl]-1-ethyl-3-[[2-(methoxymethyl)phenyl]methyl]guanidine
CID 111175417
1-amino-3-ethyl-2-[(3-methyl-2-pyridinyl)methyl]guanidine
CID 116515248
1-[(1-benzylimidazol-2-yl)methyl]-2-[(2-chlorophenyl)methyl]-3-ethylguanidine;hydroiodide
CID 111792919
1-ethyl-3-[(2-methylphenyl)methyl]-2-(quinolin-4-ylmethyl)guanidine
CID 111968939
1-[(2-chlorophenyl)methyl]-2-[(6-chloro-3-pyridinyl)methyl]-3-ethylguanidine
CID 111174372
2-[(2,4-dichlorophenyl)methyl]-1-ethyl-3-(pyridin-2-ylmethyl)guanidine;hydroiodide
CID 110969467
1-ethyl-2-[(3-methyl-2-pyridinyl)methyl]-3-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)guanidine
CID 111787827

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methyl]-1-ethyl-3-[(3-methyl-2-pyridinyl)methyl]guanidine?
The IUPAC name of 2-[(2-chlorophenyl)methyl]-1-ethyl-3-[(3-methyl-2-pyridinyl)methyl]guanidine (CID 111788015) is 2-[(2-chlorophenyl)methyl]-1-ethyl-3-[(3-methyl-2-pyridinyl)methyl]guanidine.
What is the SMILES notation for 2-[(2-chlorophenyl)methyl]-1-ethyl-3-[(3-methyl-2-pyridinyl)methyl]guanidine?
The canonical SMILES for 2-[(2-chlorophenyl)methyl]-1-ethyl-3-[(3-methyl-2-pyridinyl)methyl]guanidine is CCN/C(=N\Cc1ccccc1Cl)NCc1ncccc1C.
What is the InChIKey of 2-[(2-chlorophenyl)methyl]-1-ethyl-3-[(3-methyl-2-pyridinyl)methyl]guanidine?
The InChIKey is QUBVCKZHOIDAIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN4/c1-3-19-17(21-11-14-8-4-5-9-15(14)18)22-12-16-13(2)7-6-10-20-16/h4-10H,3,11-12H2,1-2H3,(H2,19,21,22).
What are the key properties of 2-[(2-chlorophenyl)methyl]-1-ethyl-3-[(3-methyl-2-pyridinyl)methyl]guanidine?
2-[(2-chlorophenyl)methyl]-1-ethyl-3-[(3-methyl-2-pyridinyl)methyl]guanidine has a molecular weight of 316.84 g/mol, XLogP of 3.30, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)methyl]-1-ethyl-3-[(3-methyl-2-pyridinyl)methyl]guanidine is sourced from PubChem (CID 111788015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).