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

C18H24N4O — CID 110948474

IUPAC1-ethyl-2-[(6-methoxy-2-pyridinyl)methyl]-3-(1-phenylethyl)guanidine
SMILESCCN/C(=N\Cc1cccc(OC)n1)NC(C)c1ccccc1
InChIInChI=1S/C18H24N4O/c1-4-19-18(21-14(2)15-9-6-5-7-10-15)20-13-16-11-8-12-17(22-16)23-3/h5-12,14H,4,13H2,1-3H3,(H2,19,20,21)
InChIKeyKZFNESPNRSVDHI-UHFFFAOYSA-N
MW312.42 g/mol
LogP2.91
Rot. Bonds6

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

1-ethyl-2-[(6-methoxy-2-pyridinyl)methyl]-3-(1-phenylethyl)guanidine (PubChem CID 110948474) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is 1-ethyl-2-[(6-methoxy-2-pyridinyl)methyl]-3-(1-phenylethyl)guanidine.

Molecular Properties

Compound Name1-ethyl-2-[(6-methoxy-2-pyridinyl)methyl]-3-(1-phenylethyl)guanidine
PubChem CID110948474
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC Name1-ethyl-2-[(6-methoxy-2-pyridinyl)methyl]-3-(1-phenylethyl)guanidine
SMILESCCN/C(=N\Cc1cccc(OC)n1)NC(C)c1ccccc1
InChIInChI=1S/C18H24N4O/c1-4-19-18(21-14(2)15-9-6-5-7-10-15)20-13-16-11-8-12-17(22-16)23-3/h5-12,14H,4,13H2,1-3H3,(H2,19,20,21)
InChIKeyKZFNESPNRSVDHI-UHFFFAOYSA-N
XLogP2.91
TPSA58.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-butan-2-yl-3-ethyl-2-[(6-methoxy-2-pyridinyl)methyl]guanidine
CID 110943978
1-ethyl-2-[(6-methoxy-2-pyridinyl)methyl]-3-(4-methylpentyl)guanidine;hydroiodide
CID 111943648
1-ethyl-2-[(6-methoxy-2-pyridinyl)methyl]-3-prop-2-enylguanidine
CID 110980703
2-benzyl-1-ethyl-3-(1-phenylethyl)guanidine;hydroiodide
CID 110948673
1-ethyl-2-[(4-hydroxy-3,5-dimethoxyphenyl)methyl]-3-(1-phenylethyl)guanidine;hydroiodide
CID 110948405
1-ethyl-3-(1-phenylethyl)-2-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]guanidine
CID 111545655
1-ethyl-3-(1-phenylethyl)-2-[(2,4,6-trimethoxyphenyl)methyl]guanidine
CID 110949940
1-ethyl-3-(2-methoxy-3,3-dimethylbutyl)-2-[(6-methoxy-2-pyridinyl)methyl]guanidine;hydroiodide
CID 111710756
1-ethyl-3-[2-(2-fluorophenoxy)propyl]-2-[(6-methoxy-2-pyridinyl)methyl]guanidine;hydroiodide
CID 111684529
1-ethyl-2-methyl-3-(1-phenylethyl)guanidine
CID 110948658
1-ethyl-3-(1-phenylethyl)-2-[(3,4,5-trimethoxyphenyl)methyl]guanidine;hydroiodide
CID 110949069
1-ethyl-3-[2-(2-fluorophenyl)ethyl]-2-[(6-methoxy-2-pyridinyl)methyl]guanidine
CID 111362133

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-[(6-methoxy-2-pyridinyl)methyl]-3-(1-phenylethyl)guanidine?
The IUPAC name of 1-ethyl-2-[(6-methoxy-2-pyridinyl)methyl]-3-(1-phenylethyl)guanidine (CID 110948474) is 1-ethyl-2-[(6-methoxy-2-pyridinyl)methyl]-3-(1-phenylethyl)guanidine.
What is the SMILES notation for 1-ethyl-2-[(6-methoxy-2-pyridinyl)methyl]-3-(1-phenylethyl)guanidine?
The canonical SMILES for 1-ethyl-2-[(6-methoxy-2-pyridinyl)methyl]-3-(1-phenylethyl)guanidine is CCN/C(=N\Cc1cccc(OC)n1)NC(C)c1ccccc1.
What is the InChIKey of 1-ethyl-2-[(6-methoxy-2-pyridinyl)methyl]-3-(1-phenylethyl)guanidine?
The InChIKey is KZFNESPNRSVDHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O/c1-4-19-18(21-14(2)15-9-6-5-7-10-15)20-13-16-11-8-12-17(22-16)23-3/h5-12,14H,4,13H2,1-3H3,(H2,19,20,21).
What are the key properties of 1-ethyl-2-[(6-methoxy-2-pyridinyl)methyl]-3-(1-phenylethyl)guanidine?
1-ethyl-2-[(6-methoxy-2-pyridinyl)methyl]-3-(1-phenylethyl)guanidine has a molecular weight of 312.42 g/mol, XLogP of 2.91, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-[(6-methoxy-2-pyridinyl)methyl]-3-(1-phenylethyl)guanidine is sourced from PubChem (CID 110948474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).