1-(4-methoxyphenyl)-2-[2-(4-methoxyphenyl)-2-methylpropyl]guanidine

C19H25N3O2 — CID 111089665

IUPAC1-(4-methoxyphenyl)-2-[2-(4-methoxyphenyl)-2-methylpropyl]guanidine
SMILESCOc1ccc(N/C(N)=N/CC(C)(C)c2ccc(OC)cc2)cc1
InChIInChI=1S/C19H25N3O2/c1-19(2,14-5-9-16(23-3)10-6-14)13-21-18(20)22-15-7-11-17(24-4)12-8-15/h5-12H,13H2,1-4H3,(H3,20,21,22)
InChIKeyKIGCKRDPOVLZHX-UHFFFAOYSA-N
MW327.43 g/mol
LogP3.41
Rot. Bonds6

About 1-(4-methoxyphenyl)-2-[2-(4-methoxyphenyl)-2-methylpropyl]guanidine

1-(4-methoxyphenyl)-2-[2-(4-methoxyphenyl)-2-methylpropyl]guanidine (PubChem CID 111089665) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-2-[2-(4-methoxyphenyl)-2-methylpropyl]guanidine.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-2-[2-(4-methoxyphenyl)-2-methylpropyl]guanidine
PubChem CID111089665
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC Name1-(4-methoxyphenyl)-2-[2-(4-methoxyphenyl)-2-methylpropyl]guanidine
SMILESCOc1ccc(N/C(N)=N/CC(C)(C)c2ccc(OC)cc2)cc1
InChIInChI=1S/C19H25N3O2/c1-19(2,14-5-9-16(23-3)10-6-14)13-21-18(20)22-15-7-11-17(24-4)12-8-15/h5-12H,13H2,1-4H3,(H3,20,21,22)
InChIKeyKIGCKRDPOVLZHX-UHFFFAOYSA-N
XLogP3.41
TPSA68.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 53.41
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'}

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Related Compounds

1-(3,4-dimethylphenyl)-2-[2-(4-methoxyphenyl)-2-methylpropyl]guanidine;hydroiodide
CID 111089684
1-tert-butyl-2-[2-(4-methoxyphenyl)-2-methylpropyl]guanidine
CID 111089683
2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]-1-(4-methoxyphenyl)guanidine
CID 111091065
1-(3,4-dimethoxyphenyl)-2-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]guanidine
CID 111805160
1-(3-methoxyphenyl)-2-[2-methyl-2-(4-methylphenyl)propyl]guanidine;hydroiodide
CID 111101250
2-[2-(4-chlorophenyl)-2-methylpropyl]-1-(3,4-dimethoxyphenyl)guanidine
CID 111073571
1-(4-methoxyphenyl)-2-[(4-methoxyphenyl)methyl]guanidine
CID 56956540
1-(cyclobutylmethyl)-2-[2-(4-methoxyphenyl)-2-methylpropyl]guanidine
CID 111089709
2-(2,2-diethyl-4-hydroxybutyl)-1-(4-methoxyphenyl)guanidine;hydroiodide
CID 111822956
1-(3,4-dimethoxyphenyl)-2-(2-methyl-2-phenylpropyl)guanidine;hydroiodide
CID 111062865
1-(4-methoxyphenyl)-2-(2-methylsulfanylethyl)guanidine
CID 111030340
2-benzyl-1-(4-methoxyphenyl)guanidine
CID 100672982

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-2-[2-(4-methoxyphenyl)-2-methylpropyl]guanidine?
The IUPAC name of 1-(4-methoxyphenyl)-2-[2-(4-methoxyphenyl)-2-methylpropyl]guanidine (CID 111089665) is 1-(4-methoxyphenyl)-2-[2-(4-methoxyphenyl)-2-methylpropyl]guanidine.
What is the SMILES notation for 1-(4-methoxyphenyl)-2-[2-(4-methoxyphenyl)-2-methylpropyl]guanidine?
The canonical SMILES for 1-(4-methoxyphenyl)-2-[2-(4-methoxyphenyl)-2-methylpropyl]guanidine is COc1ccc(N/C(N)=N/CC(C)(C)c2ccc(OC)cc2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-2-[2-(4-methoxyphenyl)-2-methylpropyl]guanidine?
The InChIKey is KIGCKRDPOVLZHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-19(2,14-5-9-16(23-3)10-6-14)13-21-18(20)22-15-7-11-17(24-4)12-8-15/h5-12H,13H2,1-4H3,(H3,20,21,22).
What are the key properties of 1-(4-methoxyphenyl)-2-[2-(4-methoxyphenyl)-2-methylpropyl]guanidine?
1-(4-methoxyphenyl)-2-[2-(4-methoxyphenyl)-2-methylpropyl]guanidine has a molecular weight of 327.43 g/mol, XLogP of 3.41, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-2-[2-(4-methoxyphenyl)-2-methylpropyl]guanidine is sourced from PubChem (CID 111089665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).