2-[(6-chloro-3-pyridinyl)methyl]-1-(2-phenylethyl)guanidine

C15H17ClN4 — CID 111041913

IUPAC2-[(6-chloro-3-pyridinyl)methyl]-1-(2-phenylethyl)guanidine
SMILESN/C(=N\Cc1ccc(Cl)nc1)NCCc1ccccc1
InChIInChI=1S/C15H17ClN4/c16-14-7-6-13(10-19-14)11-20-15(17)18-9-8-12-4-2-1-3-5-12/h1-7,10H,8-9,11H2,(H3,17,18,20)
InChIKeyQNUNGEGJQZQFJZ-UHFFFAOYSA-N
MW288.78 g/mol
LogP2.38
Rot. Bonds5

About 2-[(6-chloro-3-pyridinyl)methyl]-1-(2-phenylethyl)guanidine

2-[(6-chloro-3-pyridinyl)methyl]-1-(2-phenylethyl)guanidine (PubChem CID 111041913) has the molecular formula C15H17ClN4 and a molecular weight of 288.78 g/mol. Its IUPAC name is 2-[(6-chloro-3-pyridinyl)methyl]-1-(2-phenylethyl)guanidine.

Molecular Properties

Compound Name2-[(6-chloro-3-pyridinyl)methyl]-1-(2-phenylethyl)guanidine
PubChem CID111041913
Molecular FormulaC15H17ClN4
Molecular Weight288.78 g/mol
Exact Mass288.11
IUPAC Name2-[(6-chloro-3-pyridinyl)methyl]-1-(2-phenylethyl)guanidine
SMILESN/C(=N\Cc1ccc(Cl)nc1)NCCc1ccccc1
InChIInChI=1S/C15H17ClN4/c16-14-7-6-13(10-19-14)11-20-15(17)18-9-8-12-4-2-1-3-5-12/h1-7,10H,8-9,11H2,(H3,17,18,20)
InChIKeyQNUNGEGJQZQFJZ-UHFFFAOYSA-N
XLogP2.38
TPSA63.30 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.78
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-[(6-chloro-3-pyridinyl)methyl]-1-(2-methoxyethyl)guanidine;hydroiodide
CID 110916458
2-[[6-(2-phenoxyethoxy)-3-pyridinyl]methyl]-1-(2-phenylethyl)guanidine;hydroiodide
CID 111061038
2-[[4-(dimethylamino)phenyl]methyl]-1-(2-phenylethyl)guanidine;hydroiodide
CID 111033131
2-[(6-chloro-3-pyridinyl)methyl]-1-methoxyguanidine
CID 143232776
1,2-bis(2-phenylethyl)guanidine
CID 111022877
1-(2-phenylethyl)-2-[(4-pyrazol-1-ylphenyl)methyl]guanidine
CID 111063314
1-(2-phenylethyl)-2-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]guanidine;hydroiodide
CID 111040842
2-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-1-(2-phenylethyl)guanidine;hydroiodide
CID 111064066
1-[2-(3-chlorophenyl)ethyl]-2-[(6-chloro-3-pyridinyl)methyl]-3-ethylguanidine
CID 111357504
N'-[(6-chloro-3-pyridinyl)methyl]ethanimidamide
CID 22461898
2-[(6-chloro-3-pyridinyl)methyl]-1-cyclopropylguanidine;hydroiodide
CID 110916460
2-[(6-chloro-3-pyridinyl)methyl]-1-(3-ethylphenyl)guanidine;hydroiodide
CID 111041944

Frequently Asked Questions

What is the IUPAC name of 2-[(6-chloro-3-pyridinyl)methyl]-1-(2-phenylethyl)guanidine?
The IUPAC name of 2-[(6-chloro-3-pyridinyl)methyl]-1-(2-phenylethyl)guanidine (CID 111041913) is 2-[(6-chloro-3-pyridinyl)methyl]-1-(2-phenylethyl)guanidine.
What is the SMILES notation for 2-[(6-chloro-3-pyridinyl)methyl]-1-(2-phenylethyl)guanidine?
The canonical SMILES for 2-[(6-chloro-3-pyridinyl)methyl]-1-(2-phenylethyl)guanidine is N/C(=N\Cc1ccc(Cl)nc1)NCCc1ccccc1.
What is the InChIKey of 2-[(6-chloro-3-pyridinyl)methyl]-1-(2-phenylethyl)guanidine?
The InChIKey is QNUNGEGJQZQFJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN4/c16-14-7-6-13(10-19-14)11-20-15(17)18-9-8-12-4-2-1-3-5-12/h1-7,10H,8-9,11H2,(H3,17,18,20).
What are the key properties of 2-[(6-chloro-3-pyridinyl)methyl]-1-(2-phenylethyl)guanidine?
2-[(6-chloro-3-pyridinyl)methyl]-1-(2-phenylethyl)guanidine has a molecular weight of 288.78 g/mol, XLogP of 2.38, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-chloro-3-pyridinyl)methyl]-1-(2-phenylethyl)guanidine is sourced from PubChem (CID 111041913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).