2-[[2-butoxy-5-(4-methylphenyl)phenyl]methylideneamino]guanidine

C19H24N4O — CID 168592233

IUPAC2-[[2-butoxy-5-(4-methylphenyl)phenyl]methylideneamino]guanidine
SMILESCCCCOc1ccc(-c2ccc(C)cc2)cc1C=NN=C(N)N
InChIInChI=1S/C19H24N4O/c1-3-4-11-24-18-10-9-16(15-7-5-14(2)6-8-15)12-17(18)13-22-23-19(20)21/h5-10,12-13H,3-4,11H2,1-2H3,(H4,20,21,23)
InChIKeyLRPALOCLEAQITE-UHFFFAOYSA-N
MW324.43 g/mol
LogP3.45
Rot. Bonds7

About 2-[[2-butoxy-5-(4-methylphenyl)phenyl]methylideneamino]guanidine

2-[[2-butoxy-5-(4-methylphenyl)phenyl]methylideneamino]guanidine (PubChem CID 168592233) has the molecular formula C19H24N4O and a molecular weight of 324.43 g/mol. Its IUPAC name is 2-[[2-butoxy-5-(4-methylphenyl)phenyl]methylideneamino]guanidine.

Molecular Properties

Compound Name2-[[2-butoxy-5-(4-methylphenyl)phenyl]methylideneamino]guanidine
PubChem CID168592233
Molecular FormulaC19H24N4O
Molecular Weight324.43 g/mol
Exact Mass324.20
IUPAC Name2-[[2-butoxy-5-(4-methylphenyl)phenyl]methylideneamino]guanidine
SMILESCCCCOc1ccc(-c2ccc(C)cc2)cc1C=NN=C(N)N
InChIInChI=1S/C19H24N4O/c1-3-4-11-24-18-10-9-16(15-7-5-14(2)6-8-15)12-17(18)13-22-23-19(20)21/h5-10,12-13H,3-4,11H2,1-2H3,(H4,20,21,23)
InChIKeyLRPALOCLEAQITE-UHFFFAOYSA-N
XLogP3.45
TPSA85.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(5-bromo-2-pentoxyphenyl)methylideneamino]guanidine
CID 168590980
2-[(3-butoxy-4-methylphenyl)methylideneamino]guanidine
CID 168590671
2-[(Z)-(4-butoxy-3-ethoxyphenyl)methylideneamino]guanidine
CID 112538748
2-[(4-butoxy-3-ethoxyphenyl)methylideneamino]guanidine
CID 168590622
2-[(3-methoxy-4-pentoxyphenyl)methylideneamino]guanidine
CID 168590620
2-[(2-butoxy-3-methoxyphenyl)methylideneamino]guanidine
CID 168592546
2-[(Z)-(3-bromo-4-nonoxyphenyl)methylideneamino]guanidine
CID 110533498
2-[(E)-(3-butoxyphenyl)methylideneamino]guanidine
CID 110340446
2-[(2-hydroxy-4-propoxyphenyl)methylideneamino]guanidine
CID 2387794
ethyl 2-[4-bromo-2-[(diaminomethylidenehydrazinylidene)methyl]phenoxy]acetate
CID 168590773
2-[(E)-[4-[(E)-(diaminomethylidenehydrazinylidene)methyl]-2,3-dipropoxyphenyl]methylideneamino]guanidine;dihydrochloride
CID 45263357
2-[[5-bromo-2-(3-cyanopropoxy)phenyl]methylideneamino]guanidine
CID 168592171

Frequently Asked Questions

What is the IUPAC name of 2-[[2-butoxy-5-(4-methylphenyl)phenyl]methylideneamino]guanidine?
The IUPAC name of 2-[[2-butoxy-5-(4-methylphenyl)phenyl]methylideneamino]guanidine (CID 168592233) is 2-[[2-butoxy-5-(4-methylphenyl)phenyl]methylideneamino]guanidine.
What is the SMILES notation for 2-[[2-butoxy-5-(4-methylphenyl)phenyl]methylideneamino]guanidine?
The canonical SMILES for 2-[[2-butoxy-5-(4-methylphenyl)phenyl]methylideneamino]guanidine is CCCCOc1ccc(-c2ccc(C)cc2)cc1C=NN=C(N)N.
What is the InChIKey of 2-[[2-butoxy-5-(4-methylphenyl)phenyl]methylideneamino]guanidine?
The InChIKey is LRPALOCLEAQITE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O/c1-3-4-11-24-18-10-9-16(15-7-5-14(2)6-8-15)12-17(18)13-22-23-19(20)21/h5-10,12-13H,3-4,11H2,1-2H3,(H4,20,21,23).
What are the key properties of 2-[[2-butoxy-5-(4-methylphenyl)phenyl]methylideneamino]guanidine?
2-[[2-butoxy-5-(4-methylphenyl)phenyl]methylideneamino]guanidine has a molecular weight of 324.43 g/mol, XLogP of 3.45, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-butoxy-5-(4-methylphenyl)phenyl]methylideneamino]guanidine is sourced from PubChem (CID 168592233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).