1-[(4-fluoro-3-methylphenyl)methyl]-2-methyl-3-[(2-propoxy-3-pyridinyl)methyl]guanidine

C19H25FN4O — CID 111853940

IUPAC1-[(4-fluoro-3-methylphenyl)methyl]-2-methyl-3-[(2-propoxy-3-pyridinyl)methyl]guanidine
SMILESCCCOc1ncccc1CN/C(=N\C)NCc1ccc(F)c(C)c1
InChIInChI=1S/C19H25FN4O/c1-4-10-25-18-16(6-5-9-22-18)13-24-19(21-3)23-12-15-7-8-17(20)14(2)11-15/h5-9,11H,4,10,12-13H2,1-3H3,(H2,21,23,24)
InChIKeyIREHGIQDFPSZQU-UHFFFAOYSA-N
MW344.43 g/mol
LogP3.18
Rot. Bonds7

About 1-[(4-fluoro-3-methylphenyl)methyl]-2-methyl-3-[(2-propoxy-3-pyridinyl)methyl]guanidine

1-[(4-fluoro-3-methylphenyl)methyl]-2-methyl-3-[(2-propoxy-3-pyridinyl)methyl]guanidine (PubChem CID 111853940) has the molecular formula C19H25FN4O and a molecular weight of 344.43 g/mol. Its IUPAC name is 1-[(4-fluoro-3-methylphenyl)methyl]-2-methyl-3-[(2-propoxy-3-pyridinyl)methyl]guanidine.

Molecular Properties

Compound Name1-[(4-fluoro-3-methylphenyl)methyl]-2-methyl-3-[(2-propoxy-3-pyridinyl)methyl]guanidine
PubChem CID111853940
Molecular FormulaC19H25FN4O
Molecular Weight344.43 g/mol
Exact Mass344.20
IUPAC Name1-[(4-fluoro-3-methylphenyl)methyl]-2-methyl-3-[(2-propoxy-3-pyridinyl)methyl]guanidine
SMILESCCCOc1ncccc1CN/C(=N\C)NCc1ccc(F)c(C)c1
InChIInChI=1S/C19H25FN4O/c1-4-10-25-18-16(6-5-9-22-18)13-24-19(21-3)23-12-15-7-8-17(20)14(2)11-15/h5-9,11H,4,10,12-13H2,1-3H3,(H2,21,23,24)
InChIKeyIREHGIQDFPSZQU-UHFFFAOYSA-N
XLogP3.18
TPSA58.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.43
LogP ≤ 53.18
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

2-methyl-1-[(3-methylphenyl)methyl]-3-[(2-propoxy-3-pyridinyl)methyl]guanidine
CID 111900879
1-benzyl-2-methyl-3-[(2-propoxy-3-pyridinyl)methyl]guanidine;hydroiodide
CID 110952639
2-methyl-1-[(2-propoxy-3-pyridinyl)methyl]-3-(pyridin-2-ylmethyl)guanidine;hydroiodide
CID 110968263
1-[(4-fluoro-3-methylphenyl)methyl]-2-methyl-3-(pyridin-2-ylmethyl)guanidine
CID 110970917
2-methyl-1-propan-2-yl-3-[(2-propoxy-3-pyridinyl)methyl]guanidine
CID 111125546
2-methyl-1-[(2-propoxy-3-pyridinyl)methyl]-3-(3,3,3-trifluoropropyl)guanidine;hydroiodide
CID 109472870
1-ethyl-2-[(4-fluoro-3-methylphenyl)methyl]-3-[(2-methoxy-3-pyridinyl)methyl]guanidine
CID 111854250
1-ethyl-3-[(4-fluoro-3-methylphenyl)methyl]-2-methylguanidine
CID 111853632
1-[(2-butoxy-3-pyridinyl)methyl]-3-butyl-2-methylguanidine
CID 111150836
1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-methyl-3-[(2-propoxy-3-pyridinyl)methyl]guanidine;hydroiodide
CID 109430278
1-[(4-fluoro-3-methylphenyl)methyl]-2-methyl-3-propylguanidine;hydroiodide
CID 111226644
1-benzyl-2-methyl-3-[[2-(2-propoxyphenoxy)-3-pyridinyl]methyl]guanidine
CID 110952764

Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluoro-3-methylphenyl)methyl]-2-methyl-3-[(2-propoxy-3-pyridinyl)methyl]guanidine?
The IUPAC name of 1-[(4-fluoro-3-methylphenyl)methyl]-2-methyl-3-[(2-propoxy-3-pyridinyl)methyl]guanidine (CID 111853940) is 1-[(4-fluoro-3-methylphenyl)methyl]-2-methyl-3-[(2-propoxy-3-pyridinyl)methyl]guanidine.
What is the SMILES notation for 1-[(4-fluoro-3-methylphenyl)methyl]-2-methyl-3-[(2-propoxy-3-pyridinyl)methyl]guanidine?
The canonical SMILES for 1-[(4-fluoro-3-methylphenyl)methyl]-2-methyl-3-[(2-propoxy-3-pyridinyl)methyl]guanidine is CCCOc1ncccc1CN/C(=N\C)NCc1ccc(F)c(C)c1.
What is the InChIKey of 1-[(4-fluoro-3-methylphenyl)methyl]-2-methyl-3-[(2-propoxy-3-pyridinyl)methyl]guanidine?
The InChIKey is IREHGIQDFPSZQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25FN4O/c1-4-10-25-18-16(6-5-9-22-18)13-24-19(21-3)23-12-15-7-8-17(20)14(2)11-15/h5-9,11H,4,10,12-13H2,1-3H3,(H2,21,23,24).
What are the key properties of 1-[(4-fluoro-3-methylphenyl)methyl]-2-methyl-3-[(2-propoxy-3-pyridinyl)methyl]guanidine?
1-[(4-fluoro-3-methylphenyl)methyl]-2-methyl-3-[(2-propoxy-3-pyridinyl)methyl]guanidine has a molecular weight of 344.43 g/mol, XLogP of 3.18, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluoro-3-methylphenyl)methyl]-2-methyl-3-[(2-propoxy-3-pyridinyl)methyl]guanidine is sourced from PubChem (CID 111853940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).