1-cyano-2-[(4-methoxyphenyl)methyl]guanidine

C10H12N4O — CID 71332508

IUPAC1-cyano-2-[(4-methoxyphenyl)methyl]guanidine
SMILESCOc1ccc(C/N=C(\N)NC#N)cc1
InChIInChI=1S/C10H12N4O/c1-15-9-4-2-8(3-5-9)6-13-10(12)14-7-11/h2-5H,6H2,1H3,(H3,12,13,14)
InChIKeyILKGZLJYMRLDCQ-UHFFFAOYSA-N
MW204.23 g/mol
LogP0.58
Rot. Bonds3

About 1-cyano-2-[(4-methoxyphenyl)methyl]guanidine

1-cyano-2-[(4-methoxyphenyl)methyl]guanidine (PubChem CID 71332508) has the molecular formula C10H12N4O and a molecular weight of 204.23 g/mol. Its IUPAC name is 1-cyano-2-[(4-methoxyphenyl)methyl]guanidine.

Molecular Properties

Compound Name1-cyano-2-[(4-methoxyphenyl)methyl]guanidine
PubChem CID71332508
Molecular FormulaC10H12N4O
Molecular Weight204.23 g/mol
Exact Mass204.10
IUPAC Name1-cyano-2-[(4-methoxyphenyl)methyl]guanidine
SMILESCOc1ccc(C/N=C(\N)NC#N)cc1
InChIInChI=1S/C10H12N4O/c1-15-9-4-2-8(3-5-9)6-13-10(12)14-7-11/h2-5H,6H2,1H3,(H3,12,13,14)
InChIKeyILKGZLJYMRLDCQ-UHFFFAOYSA-N
XLogP0.58
TPSA83.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1-(4-methoxyphenyl)-2-[(4-methoxyphenyl)methyl]guanidine
CID 56956540
N'-[[N'-[(4-methoxyphenyl)methyl]carbamimidoyl]amino]carbamimidoyl chloride
CID 166825471
(Z)-hydroxyimino-[N'-[(4-methoxyphenyl)methyl]carbamimidoyl]-oxidoazanium
CID 135490639
2-benzyl-1-(4-methoxyphenyl)guanidine
CID 100672982
1-cyano-2-[2-(2,5-dimethoxyphenyl)ethyl]guanidine
CID 142011662
2-[(4-bromophenyl)methyl]-1-(4-methoxyphenyl)guanidine;hydroiodide
CID 111753557
3,4,4-trifluorobut-3-enyl N-cyano-N'-[(4-methoxyphenyl)methyl]carbamimidothioate
CID 134122540
2-[[4-[(dimethylamino)methyl]phenyl]methyl]-1-(4-methoxyphenyl)guanidine
CID 111034023
1-(4-methoxyphenyl)-2-[(4-phenoxyphenyl)methyl]guanidine
CID 111063266
N'-[(4-methoxyphenyl)methyl]prop-2-enimidamide
CID 166085735
1-(3,4-dimethylphenyl)-2-[(4-methoxyphenyl)methyl]guanidine;hydroiodide
CID 111024356
2-[(4-methoxyphenyl)methyl]-1-[[4-(trifluoromethoxy)phenyl]methyl]guanidine
CID 111597480

Frequently Asked Questions

What is the IUPAC name of 1-cyano-2-[(4-methoxyphenyl)methyl]guanidine?
The IUPAC name of 1-cyano-2-[(4-methoxyphenyl)methyl]guanidine (CID 71332508) is 1-cyano-2-[(4-methoxyphenyl)methyl]guanidine.
What is the SMILES notation for 1-cyano-2-[(4-methoxyphenyl)methyl]guanidine?
The canonical SMILES for 1-cyano-2-[(4-methoxyphenyl)methyl]guanidine is COc1ccc(C/N=C(\N)NC#N)cc1.
What is the InChIKey of 1-cyano-2-[(4-methoxyphenyl)methyl]guanidine?
The InChIKey is ILKGZLJYMRLDCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O/c1-15-9-4-2-8(3-5-9)6-13-10(12)14-7-11/h2-5H,6H2,1H3,(H3,12,13,14).
What are the key properties of 1-cyano-2-[(4-methoxyphenyl)methyl]guanidine?
1-cyano-2-[(4-methoxyphenyl)methyl]guanidine has a molecular weight of 204.23 g/mol, XLogP of 0.58, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-2-[(4-methoxyphenyl)methyl]guanidine is sourced from PubChem (CID 71332508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).