1-(3-tert-butyl-2-hydroxy-5-methoxyphenyl)-2-(pyridin-3-ylmethyl)guanidine

C18H24N4O2 — CID 22099403

IUPAC1-(3-tert-butyl-2-hydroxy-5-methoxyphenyl)-2-(pyridin-3-ylmethyl)guanidine
SMILESCOc1cc(N/C(N)=N/Cc2cccnc2)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C18H24N4O2/c1-18(2,3)14-8-13(24-4)9-15(16(14)23)22-17(19)21-11-12-6-5-7-20-10-12/h5-10,23H,11H2,1-4H3,(H3,19,21,22)
InChIKeyOIVYHKWTJQBPHZ-UHFFFAOYSA-N
MW328.42 g/mol
LogP3.02
Rot. Bonds4

About 1-(3-tert-butyl-2-hydroxy-5-methoxyphenyl)-2-(pyridin-3-ylmethyl)guanidine

1-(3-tert-butyl-2-hydroxy-5-methoxyphenyl)-2-(pyridin-3-ylmethyl)guanidine (PubChem CID 22099403) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is 1-(3-tert-butyl-2-hydroxy-5-methoxyphenyl)-2-(pyridin-3-ylmethyl)guanidine.

Molecular Properties

Compound Name1-(3-tert-butyl-2-hydroxy-5-methoxyphenyl)-2-(pyridin-3-ylmethyl)guanidine
PubChem CID22099403
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name1-(3-tert-butyl-2-hydroxy-5-methoxyphenyl)-2-(pyridin-3-ylmethyl)guanidine
SMILESCOc1cc(N/C(N)=N/Cc2cccnc2)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C18H24N4O2/c1-18(2,3)14-8-13(24-4)9-15(16(14)23)22-17(19)21-11-12-6-5-7-20-10-12/h5-10,23H,11H2,1-4H3,(H3,19,21,22)
InChIKeyOIVYHKWTJQBPHZ-UHFFFAOYSA-N
XLogP3.02
TPSA92.76 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 53.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1-(2,5-diethoxyphenyl)-2-(pyridin-3-ylmethyl)guanidine
CID 111023388
1-(3,4-dimethoxyphenyl)-2-(pyridin-3-ylmethyl)guanidine
CID 111023354
1-[(3,4-dimethoxyphenyl)methyl]-2-(pyridin-3-ylmethyl)guanidine
CID 111023378
1-(4-methylphenyl)-2-(pyridin-3-ylmethyl)guanidine;hydroiodide
CID 111023341
1-(3-phenoxyphenyl)-2-(pyridin-3-ylmethyl)guanidine;hydroiodide
CID 111597443
1-(3-methoxyphenyl)-2-(2-pyridin-3-ylethyl)guanidine;hydroiodide
CID 111043095
1-tert-butyl-2-[(3-methoxyphenyl)methyl]guanidine;hydroiodide
CID 110912175
4,6-ditert-butyl-3-(pyridin-3-ylmethyliminomethyl)benzene-1,2-diol
CID 170984159
1-(2-methylpropyl)-2-(pyridin-3-ylmethyl)guanidine
CID 62361961
2-[(3-fluoro-4-pyridin-3-yloxyphenyl)methyl]-1-(3-methoxyphenyl)guanidine;hydroiodide
CID 111083112
2-[[3-[[[amino-(4-methoxyanilino)methylidene]amino]methyl]phenyl]methyl]-1-(4-methoxyphenyl)guanidine
CID 110062228
N'-(pyridin-3-ylmethyl)propanimidamide
CID 63178456

Frequently Asked Questions

What is the IUPAC name of 1-(3-tert-butyl-2-hydroxy-5-methoxyphenyl)-2-(pyridin-3-ylmethyl)guanidine?
The IUPAC name of 1-(3-tert-butyl-2-hydroxy-5-methoxyphenyl)-2-(pyridin-3-ylmethyl)guanidine (CID 22099403) is 1-(3-tert-butyl-2-hydroxy-5-methoxyphenyl)-2-(pyridin-3-ylmethyl)guanidine.
What is the SMILES notation for 1-(3-tert-butyl-2-hydroxy-5-methoxyphenyl)-2-(pyridin-3-ylmethyl)guanidine?
The canonical SMILES for 1-(3-tert-butyl-2-hydroxy-5-methoxyphenyl)-2-(pyridin-3-ylmethyl)guanidine is COc1cc(N/C(N)=N/Cc2cccnc2)c(O)c(C(C)(C)C)c1.
What is the InChIKey of 1-(3-tert-butyl-2-hydroxy-5-methoxyphenyl)-2-(pyridin-3-ylmethyl)guanidine?
The InChIKey is OIVYHKWTJQBPHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-18(2,3)14-8-13(24-4)9-15(16(14)23)22-17(19)21-11-12-6-5-7-20-10-12/h5-10,23H,11H2,1-4H3,(H3,19,21,22).
What are the key properties of 1-(3-tert-butyl-2-hydroxy-5-methoxyphenyl)-2-(pyridin-3-ylmethyl)guanidine?
1-(3-tert-butyl-2-hydroxy-5-methoxyphenyl)-2-(pyridin-3-ylmethyl)guanidine has a molecular weight of 328.42 g/mol, XLogP of 3.02, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-tert-butyl-2-hydroxy-5-methoxyphenyl)-2-(pyridin-3-ylmethyl)guanidine is sourced from PubChem (CID 22099403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).