1-[(3-methoxyphenyl)methyl]-3-prop-2-enyl-2-(pyridin-3-ylmethyl)guanidine

C18H22N4O — CID 75371572

IUPAC1-[(3-methoxyphenyl)methyl]-3-prop-2-enyl-2-(pyridin-3-ylmethyl)guanidine
SMILESC=CCN/C(=N\Cc1cccnc1)NCc1cccc(OC)c1
InChIInChI=1S/C18H22N4O/c1-3-9-20-18(22-14-16-7-5-10-19-12-16)21-13-15-6-4-8-17(11-15)23-2/h3-8,10-12H,1,9,13-14H2,2H3,(H2,20,21,22)
InChIKeyUXGYAIBRKGKAML-UHFFFAOYSA-N
MW310.40 g/mol
LogP2.51
Rot. Bonds7

About 1-[(3-methoxyphenyl)methyl]-3-prop-2-enyl-2-(pyridin-3-ylmethyl)guanidine

1-[(3-methoxyphenyl)methyl]-3-prop-2-enyl-2-(pyridin-3-ylmethyl)guanidine (PubChem CID 75371572) has the molecular formula C18H22N4O and a molecular weight of 310.40 g/mol. Its IUPAC name is 1-[(3-methoxyphenyl)methyl]-3-prop-2-enyl-2-(pyridin-3-ylmethyl)guanidine.

Molecular Properties

Compound Name1-[(3-methoxyphenyl)methyl]-3-prop-2-enyl-2-(pyridin-3-ylmethyl)guanidine
PubChem CID75371572
Molecular FormulaC18H22N4O
Molecular Weight310.40 g/mol
Exact Mass310.18
IUPAC Name1-[(3-methoxyphenyl)methyl]-3-prop-2-enyl-2-(pyridin-3-ylmethyl)guanidine
SMILESC=CCN/C(=N\Cc1cccnc1)NCc1cccc(OC)c1
InChIInChI=1S/C18H22N4O/c1-3-9-20-18(22-14-16-7-5-10-19-12-16)21-13-15-6-4-8-17(11-15)23-2/h3-8,10-12H,1,9,13-14H2,2H3,(H2,20,21,22)
InChIKeyUXGYAIBRKGKAML-UHFFFAOYSA-N
XLogP2.51
TPSA58.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 52.51
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-[(3-methoxyphenyl)methyl]-2-methyl-3-prop-2-enylguanidine
CID 110981529
1-ethyl-2,3-bis[(3-methoxyphenyl)methyl]guanidine;hydroiodide
CID 111249108
1-ethyl-2-[[3-(methoxymethyl)phenyl]methyl]-3-[(3-methoxyphenyl)methyl]guanidine
CID 111250251
1-(2-fluorophenyl)-3-prop-2-enyl-2-(pyridin-3-ylmethyl)guanidine
CID 11243086
1-ethyl-2-[[6-(4-methoxyphenoxy)-3-pyridinyl]methyl]-3-[(3-methoxyphenyl)methyl]guanidine
CID 111249833
1-ethyl-2-[(3-methoxyphenyl)methyl]-3-[(4-methylphenyl)methyl]guanidine
CID 111243495
1-ethyl-3-[(3-methoxy-4-methylphenyl)methyl]-2-[(3-methoxyphenyl)methyl]guanidine
CID 111249385
2-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]-1-ethyl-3-[(3-methoxyphenyl)methyl]guanidine
CID 111249359
1-ethyl-3-[(3-methoxyphenyl)methyl]-2-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]guanidine;hydroiodide
CID 111250858
3-methoxy-N-[N-phenyl-N'-(pyridin-3-ylmethyl)carbamimidoyl]benzamide
CID 50818521
3-methoxy-N-[N-(4-methoxyphenyl)-N'-(pyridin-3-ylmethyl)carbamimidoyl]benzamide
CID 50817379
2-methyl-1-prop-2-enyl-3-[(3-propoxyphenyl)methyl]guanidine
CID 110980915

Frequently Asked Questions

What is the IUPAC name of 1-[(3-methoxyphenyl)methyl]-3-prop-2-enyl-2-(pyridin-3-ylmethyl)guanidine?
The IUPAC name of 1-[(3-methoxyphenyl)methyl]-3-prop-2-enyl-2-(pyridin-3-ylmethyl)guanidine (CID 75371572) is 1-[(3-methoxyphenyl)methyl]-3-prop-2-enyl-2-(pyridin-3-ylmethyl)guanidine.
What is the SMILES notation for 1-[(3-methoxyphenyl)methyl]-3-prop-2-enyl-2-(pyridin-3-ylmethyl)guanidine?
The canonical SMILES for 1-[(3-methoxyphenyl)methyl]-3-prop-2-enyl-2-(pyridin-3-ylmethyl)guanidine is C=CCN/C(=N\Cc1cccnc1)NCc1cccc(OC)c1.
What is the InChIKey of 1-[(3-methoxyphenyl)methyl]-3-prop-2-enyl-2-(pyridin-3-ylmethyl)guanidine?
The InChIKey is UXGYAIBRKGKAML-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O/c1-3-9-20-18(22-14-16-7-5-10-19-12-16)21-13-15-6-4-8-17(11-15)23-2/h3-8,10-12H,1,9,13-14H2,2H3,(H2,20,21,22).
What are the key properties of 1-[(3-methoxyphenyl)methyl]-3-prop-2-enyl-2-(pyridin-3-ylmethyl)guanidine?
1-[(3-methoxyphenyl)methyl]-3-prop-2-enyl-2-(pyridin-3-ylmethyl)guanidine has a molecular weight of 310.40 g/mol, XLogP of 2.51, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methoxyphenyl)methyl]-3-prop-2-enyl-2-(pyridin-3-ylmethyl)guanidine is sourced from PubChem (CID 75371572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).