1-(3-propan-2-ylphenyl)-2-[(6-propoxy-3-pyridinyl)methyl]guanidine

C19H26N4O — CID 111804462

IUPAC1-(3-propan-2-ylphenyl)-2-[(6-propoxy-3-pyridinyl)methyl]guanidine
SMILESCCCOc1ccc(C/N=C(\N)Nc2cccc(C(C)C)c2)cn1
InChIInChI=1S/C19H26N4O/c1-4-10-24-18-9-8-15(12-21-18)13-22-19(20)23-17-7-5-6-16(11-17)14(2)3/h5-9,11-12,14H,4,10,13H2,1-3H3,(H3,20,22,23)
InChIKeySAPFSNARVFZLRE-UHFFFAOYSA-N
MW326.44 g/mol
LogP3.92
Rot. Bonds7

About 1-(3-propan-2-ylphenyl)-2-[(6-propoxy-3-pyridinyl)methyl]guanidine

1-(3-propan-2-ylphenyl)-2-[(6-propoxy-3-pyridinyl)methyl]guanidine (PubChem CID 111804462) has the molecular formula C19H26N4O and a molecular weight of 326.44 g/mol. Its IUPAC name is 1-(3-propan-2-ylphenyl)-2-[(6-propoxy-3-pyridinyl)methyl]guanidine.

Molecular Properties

Compound Name1-(3-propan-2-ylphenyl)-2-[(6-propoxy-3-pyridinyl)methyl]guanidine
PubChem CID111804462
Molecular FormulaC19H26N4O
Molecular Weight326.44 g/mol
Exact Mass326.21
IUPAC Name1-(3-propan-2-ylphenyl)-2-[(6-propoxy-3-pyridinyl)methyl]guanidine
SMILESCCCOc1ccc(C/N=C(\N)Nc2cccc(C(C)C)c2)cn1
InChIInChI=1S/C19H26N4O/c1-4-10-24-18-9-8-15(12-21-18)13-22-19(20)23-17-7-5-6-16(11-17)14(2)3/h5-9,11-12,14H,4,10,13H2,1-3H3,(H3,20,22,23)
InChIKeySAPFSNARVFZLRE-UHFFFAOYSA-N
XLogP3.92
TPSA72.53 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 ≤ 53.92
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-(3-propan-2-ylphenyl)-2-[(6-propoxy-3-pyridinyl)methyl]guanidine;hydroiodide
CID 111804461
2-[(6-propan-2-yloxy-3-pyridinyl)methyl]-1-(3-propan-2-ylphenyl)guanidine;hydroiodide
CID 111061142
1-(3-methoxyphenyl)-2-[(6-propoxy-3-pyridinyl)methyl]guanidine;hydroiodide
CID 111804523
1-(3,4-dimethylphenyl)-2-[(6-propoxy-3-pyridinyl)methyl]guanidine
CID 111804450
2-[(4-methylphenyl)methyl]-1-(3-propan-2-ylphenyl)guanidine;hydroiodide
CID 111025993
2-[(3-ethoxy-4-methoxyphenyl)methyl]-1-(3-propan-2-ylphenyl)guanidine
CID 111809094
1-(1-methoxypropan-2-yl)-2-[(6-propoxy-3-pyridinyl)methyl]guanidine
CID 111804468
2-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]-1-(3-propan-2-ylphenyl)guanidine
CID 111048778
2-[(6-propoxy-3-pyridinyl)methyl]guanidine
CID 111108995
2-[(3-methylphenyl)methyl]-1-(3-propan-2-ylphenyl)guanidine;hydroiodide
CID 111046293
2-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-(3-propan-2-ylphenyl)guanidine
CID 111078311
1-(3,4-dimethoxyphenyl)-2-[[6-(2-phenoxyethoxy)-3-pyridinyl]methyl]guanidine
CID 111061059

Frequently Asked Questions

What is the IUPAC name of 1-(3-propan-2-ylphenyl)-2-[(6-propoxy-3-pyridinyl)methyl]guanidine?
The IUPAC name of 1-(3-propan-2-ylphenyl)-2-[(6-propoxy-3-pyridinyl)methyl]guanidine (CID 111804462) is 1-(3-propan-2-ylphenyl)-2-[(6-propoxy-3-pyridinyl)methyl]guanidine.
What is the SMILES notation for 1-(3-propan-2-ylphenyl)-2-[(6-propoxy-3-pyridinyl)methyl]guanidine?
The canonical SMILES for 1-(3-propan-2-ylphenyl)-2-[(6-propoxy-3-pyridinyl)methyl]guanidine is CCCOc1ccc(C/N=C(\N)Nc2cccc(C(C)C)c2)cn1.
What is the InChIKey of 1-(3-propan-2-ylphenyl)-2-[(6-propoxy-3-pyridinyl)methyl]guanidine?
The InChIKey is SAPFSNARVFZLRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O/c1-4-10-24-18-9-8-15(12-21-18)13-22-19(20)23-17-7-5-6-16(11-17)14(2)3/h5-9,11-12,14H,4,10,13H2,1-3H3,(H3,20,22,23).
What are the key properties of 1-(3-propan-2-ylphenyl)-2-[(6-propoxy-3-pyridinyl)methyl]guanidine?
1-(3-propan-2-ylphenyl)-2-[(6-propoxy-3-pyridinyl)methyl]guanidine has a molecular weight of 326.44 g/mol, XLogP of 3.92, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-propan-2-ylphenyl)-2-[(6-propoxy-3-pyridinyl)methyl]guanidine is sourced from PubChem (CID 111804462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).