2-[[3-[[[amino-(4-methoxyanilino)methylidene]amino]methyl]phenyl]methyl]-1-(4-methoxyphenyl)guanidine

C24H28N6O2 — CID 110062228

IUPAC2-[[3-[[[amino-(4-methoxyanilino)methylidene]amino]methyl]phenyl]methyl]-1-(4-methoxyphenyl)guanidine
SMILESCOc1ccc(N/C(N)=N/Cc2cccc(C/N=C(\N)Nc3ccc(OC)cc3)c2)cc1
InChIInChI=1S/C24H28N6O2/c1-31-21-10-6-19(7-11-21)29-23(25)27-15-17-4-3-5-18(14-17)16-28-24(26)30-20-8-12-22(32-2)13-9-20/h3-14H,15-16H2,1-2H3,(H3,25,27,29)(H3,26,28,30)
InChIKeyNCZAKSQQDYWJAE-UHFFFAOYSA-N
MW432.53 g/mol
LogP3.56
Rot. Bonds8

About 2-[[3-[[[amino-(4-methoxyanilino)methylidene]amino]methyl]phenyl]methyl]-1-(4-methoxyphenyl)guanidine

2-[[3-[[[amino-(4-methoxyanilino)methylidene]amino]methyl]phenyl]methyl]-1-(4-methoxyphenyl)guanidine (PubChem CID 110062228) has the molecular formula C24H28N6O2 and a molecular weight of 432.53 g/mol. Its IUPAC name is 2-[[3-[[[amino-(4-methoxyanilino)methylidene]amino]methyl]phenyl]methyl]-1-(4-methoxyphenyl)guanidine.

Molecular Properties

Compound Name2-[[3-[[[amino-(4-methoxyanilino)methylidene]amino]methyl]phenyl]methyl]-1-(4-methoxyphenyl)guanidine
PubChem CID110062228
Molecular FormulaC24H28N6O2
Molecular Weight432.53 g/mol
Exact Mass432.23
IUPAC Name2-[[3-[[[amino-(4-methoxyanilino)methylidene]amino]methyl]phenyl]methyl]-1-(4-methoxyphenyl)guanidine
SMILESCOc1ccc(N/C(N)=N/Cc2cccc(C/N=C(\N)Nc3ccc(OC)cc3)c2)cc1
InChIInChI=1S/C24H28N6O2/c1-31-21-10-6-19(7-11-21)29-23(25)27-15-17-4-3-5-18(14-17)16-28-24(26)30-20-8-12-22(32-2)13-9-20/h3-14H,15-16H2,1-2H3,(H3,25,27,29)(H3,26,28,30)
InChIKeyNCZAKSQQDYWJAE-UHFFFAOYSA-N
XLogP3.56
TPSA119.28 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.53
LogP ≤ 53.56
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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

2-benzyl-1-(4-methoxyphenyl)guanidine
CID 100672982
1-(4-methoxyphenyl)-2-[(4-methoxyphenyl)methyl]guanidine
CID 56956540
2-[[3-(2-methoxyethoxy)phenyl]methyl]-1-(4-methoxyphenyl)guanidine
CID 111061365
1-(4-methoxyphenyl)-2-[(3-sulfamoylphenyl)methyl]guanidine
CID 111059365
2-[3-[[[amino-(4-methoxyanilino)methylidene]amino]methyl]phenoxy]acetamide
CID 111801806
2-[[3-(methoxymethyl)phenyl]methyl]-1-(3-methoxyphenyl)guanidine
CID 111053993
1-(4-methoxyphenyl)-2-[(4-phenoxyphenyl)methyl]guanidine
CID 111063266
2-[(4-methoxy-3-methylphenyl)methyl]-1-(4-methoxyphenyl)guanidine;hydroiodide
CID 111095695
2-[(4-chloro-3-methylphenyl)methyl]-1-(4-methoxyphenyl)guanidine;hydroiodide
CID 110032873
2-[(4-bromophenyl)methyl]-1-(4-methoxyphenyl)guanidine;hydroiodide
CID 111753557
2-[[3-(2-methoxyethylsulfamoyl)phenyl]methyl]-1-(4-methoxyphenyl)guanidine
CID 111811710
2-[[4-[(dimethylamino)methyl]phenyl]methyl]-1-(4-methoxyphenyl)guanidine
CID 111034023

Frequently Asked Questions

What is the IUPAC name of 2-[[3-[[[amino-(4-methoxyanilino)methylidene]amino]methyl]phenyl]methyl]-1-(4-methoxyphenyl)guanidine?
The IUPAC name of 2-[[3-[[[amino-(4-methoxyanilino)methylidene]amino]methyl]phenyl]methyl]-1-(4-methoxyphenyl)guanidine (CID 110062228) is 2-[[3-[[[amino-(4-methoxyanilino)methylidene]amino]methyl]phenyl]methyl]-1-(4-methoxyphenyl)guanidine.
What is the SMILES notation for 2-[[3-[[[amino-(4-methoxyanilino)methylidene]amino]methyl]phenyl]methyl]-1-(4-methoxyphenyl)guanidine?
The canonical SMILES for 2-[[3-[[[amino-(4-methoxyanilino)methylidene]amino]methyl]phenyl]methyl]-1-(4-methoxyphenyl)guanidine is COc1ccc(N/C(N)=N/Cc2cccc(C/N=C(\N)Nc3ccc(OC)cc3)c2)cc1.
What is the InChIKey of 2-[[3-[[[amino-(4-methoxyanilino)methylidene]amino]methyl]phenyl]methyl]-1-(4-methoxyphenyl)guanidine?
The InChIKey is NCZAKSQQDYWJAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N6O2/c1-31-21-10-6-19(7-11-21)29-23(25)27-15-17-4-3-5-18(14-17)16-28-24(26)30-20-8-12-22(32-2)13-9-20/h3-14H,15-16H2,1-2H3,(H3,25,27,29)(H3,26,28,30).
What are the key properties of 2-[[3-[[[amino-(4-methoxyanilino)methylidene]amino]methyl]phenyl]methyl]-1-(4-methoxyphenyl)guanidine?
2-[[3-[[[amino-(4-methoxyanilino)methylidene]amino]methyl]phenyl]methyl]-1-(4-methoxyphenyl)guanidine has a molecular weight of 432.53 g/mol, XLogP of 3.56, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-[[[amino-(4-methoxyanilino)methylidene]amino]methyl]phenyl]methyl]-1-(4-methoxyphenyl)guanidine is sourced from PubChem (CID 110062228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).