2-methyl-1-[(3-methylphenyl)methyl]-3-[(2-propoxy-3-pyridinyl)methyl]guanidine

C19H26N4O — CID 111900879

IUPAC2-methyl-1-[(3-methylphenyl)methyl]-3-[(2-propoxy-3-pyridinyl)methyl]guanidine
SMILESCCCOc1ncccc1CN/C(=N/C)NCc1cccc(C)c1
InChIInChI=1S/C19H26N4O/c1-4-11-24-18-17(9-6-10-21-18)14-23-19(20-3)22-13-16-8-5-7-15(2)12-16/h5-10,12H,4,11,13-14H2,1-3H3,(H2,20,22,23)
InChIKeyPCSJZIFCYJGIKB-UHFFFAOYSA-N
MW326.44 g/mol
LogP3.04
Rot. Bonds7

About 2-methyl-1-[(3-methylphenyl)methyl]-3-[(2-propoxy-3-pyridinyl)methyl]guanidine

2-methyl-1-[(3-methylphenyl)methyl]-3-[(2-propoxy-3-pyridinyl)methyl]guanidine (PubChem CID 111900879) has the molecular formula C19H26N4O and a molecular weight of 326.44 g/mol. Its IUPAC name is 2-methyl-1-[(3-methylphenyl)methyl]-3-[(2-propoxy-3-pyridinyl)methyl]guanidine.

Molecular Properties

Compound Name2-methyl-1-[(3-methylphenyl)methyl]-3-[(2-propoxy-3-pyridinyl)methyl]guanidine
PubChem CID111900879
Molecular FormulaC19H26N4O
Molecular Weight326.44 g/mol
Exact Mass326.21
IUPAC Name2-methyl-1-[(3-methylphenyl)methyl]-3-[(2-propoxy-3-pyridinyl)methyl]guanidine
SMILESCCCOc1ncccc1CN/C(=N/C)NCc1cccc(C)c1
InChIInChI=1S/C19H26N4O/c1-4-11-24-18-17(9-6-10-21-18)14-23-19(20-3)22-13-16-8-5-7-15(2)12-16/h5-10,12H,4,11,13-14H2,1-3H3,(H2,20,22,23)
InChIKeyPCSJZIFCYJGIKB-UHFFFAOYSA-N
XLogP3.04
TPSA58.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 53.04
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-benzyl-2-methyl-3-[(2-propoxy-3-pyridinyl)methyl]guanidine;hydroiodide
CID 110952639
1-[(4-fluoro-3-methylphenyl)methyl]-2-methyl-3-[(2-propoxy-3-pyridinyl)methyl]guanidine
CID 111853940
1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-methyl-3-[(2-propoxy-3-pyridinyl)methyl]guanidine;hydroiodide
CID 109430278
2-methyl-1-[(2-propoxy-3-pyridinyl)methyl]-3-(pyridin-2-ylmethyl)guanidine;hydroiodide
CID 110968263
2-methyl-1-propan-2-yl-3-[(2-propoxy-3-pyridinyl)methyl]guanidine
CID 111125546
1-benzyl-2-methyl-3-[[2-(2-propoxyphenoxy)-3-pyridinyl]methyl]guanidine
CID 110952764
1-[(2-butoxy-3-pyridinyl)methyl]-3-butyl-2-methylguanidine
CID 111150836
2-methyl-1-[(2-propoxy-3-pyridinyl)methyl]-3-(3,3,3-trifluoropropyl)guanidine;hydroiodide
CID 109472870
1-[(5-ethylthiophen-2-yl)methyl]-2-methyl-3-[(2-propoxy-3-pyridinyl)methyl]guanidine;hydroiodide
CID 111957670
2-methyl-1-[(4-methylphenyl)methyl]-3-[(2-phenylmethoxy-3-pyridinyl)methyl]guanidine
CID 111245303
1-[(2-ethoxy-3-pyridinyl)methyl]-3-ethyl-2-[(3-methylphenyl)methyl]guanidine
CID 111900055
2-methyl-1-(2-methyl-2-methylsulfanylpropyl)-3-[(2-propoxy-3-pyridinyl)methyl]guanidine;hydroiodide
CID 111611373

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[(3-methylphenyl)methyl]-3-[(2-propoxy-3-pyridinyl)methyl]guanidine?
The IUPAC name of 2-methyl-1-[(3-methylphenyl)methyl]-3-[(2-propoxy-3-pyridinyl)methyl]guanidine (CID 111900879) is 2-methyl-1-[(3-methylphenyl)methyl]-3-[(2-propoxy-3-pyridinyl)methyl]guanidine.
What is the SMILES notation for 2-methyl-1-[(3-methylphenyl)methyl]-3-[(2-propoxy-3-pyridinyl)methyl]guanidine?
The canonical SMILES for 2-methyl-1-[(3-methylphenyl)methyl]-3-[(2-propoxy-3-pyridinyl)methyl]guanidine is CCCOc1ncccc1CN/C(=N/C)NCc1cccc(C)c1.
What is the InChIKey of 2-methyl-1-[(3-methylphenyl)methyl]-3-[(2-propoxy-3-pyridinyl)methyl]guanidine?
The InChIKey is PCSJZIFCYJGIKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O/c1-4-11-24-18-17(9-6-10-21-18)14-23-19(20-3)22-13-16-8-5-7-15(2)12-16/h5-10,12H,4,11,13-14H2,1-3H3,(H2,20,22,23).
What are the key properties of 2-methyl-1-[(3-methylphenyl)methyl]-3-[(2-propoxy-3-pyridinyl)methyl]guanidine?
2-methyl-1-[(3-methylphenyl)methyl]-3-[(2-propoxy-3-pyridinyl)methyl]guanidine has a molecular weight of 326.44 g/mol, XLogP of 3.04, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[(3-methylphenyl)methyl]-3-[(2-propoxy-3-pyridinyl)methyl]guanidine is sourced from PubChem (CID 111900879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).