1-(3,4-dimethoxyphenyl)-2-[[1-(4-methoxyphenyl)cyclohexyl]methyl]guanidine

C23H31N3O3 — CID 111081360

IUPAC1-(3,4-dimethoxyphenyl)-2-[[1-(4-methoxyphenyl)cyclohexyl]methyl]guanidine
SMILESCOc1ccc(C2(C/N=C(\N)Nc3ccc(OC)c(OC)c3)CCCCC2)cc1
InChIInChI=1S/C23H31N3O3/c1-27-19-10-7-17(8-11-19)23(13-5-4-6-14-23)16-25-22(24)26-18-9-12-20(28-2)21(15-18)29-3/h7-12,15H,4-6,13-14,16H2,1-3H3,(H3,24,25,26)
InChIKeyOBGRPIZSMBVHDS-UHFFFAOYSA-N
MW397.52 g/mol
LogP4.34
Rot. Bonds7

About 1-(3,4-dimethoxyphenyl)-2-[[1-(4-methoxyphenyl)cyclohexyl]methyl]guanidine

1-(3,4-dimethoxyphenyl)-2-[[1-(4-methoxyphenyl)cyclohexyl]methyl]guanidine (PubChem CID 111081360) has the molecular formula C23H31N3O3 and a molecular weight of 397.52 g/mol. Its IUPAC name is 1-(3,4-dimethoxyphenyl)-2-[[1-(4-methoxyphenyl)cyclohexyl]methyl]guanidine.

Molecular Properties

Compound Name1-(3,4-dimethoxyphenyl)-2-[[1-(4-methoxyphenyl)cyclohexyl]methyl]guanidine
PubChem CID111081360
Molecular FormulaC23H31N3O3
Molecular Weight397.52 g/mol
Exact Mass397.24
IUPAC Name1-(3,4-dimethoxyphenyl)-2-[[1-(4-methoxyphenyl)cyclohexyl]methyl]guanidine
SMILESCOc1ccc(C2(C/N=C(\N)Nc3ccc(OC)c(OC)c3)CCCCC2)cc1
InChIInChI=1S/C23H31N3O3/c1-27-19-10-7-17(8-11-19)23(13-5-4-6-14-23)16-25-22(24)26-18-9-12-20(28-2)21(15-18)29-3/h7-12,15H,4-6,13-14,16H2,1-3H3,(H3,24,25,26)
InChIKeyOBGRPIZSMBVHDS-UHFFFAOYSA-N
XLogP4.34
TPSA78.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.52
LogP ≤ 54.34
H-Bond Donors ≤ 52
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

1-(3,4-dimethoxyphenyl)-2-[(1-hydroxycyclohexyl)methyl]guanidine
CID 111078463
1-(3,4-dimethoxyphenyl)-2-[[4-(4-fluorophenyl)oxan-4-yl]methyl]guanidine
CID 111080569
2-[[1-(4-methoxyphenyl)cyclohexyl]methyl]-1-propylguanidine
CID 111081352
1-(3-chloro-4-methoxyphenyl)-2-[(1-phenylcyclobutyl)methyl]guanidine
CID 111038681
2-[[1-(4-fluorophenyl)cyclopentyl]methyl]-1-(3-methoxyphenyl)guanidine;hydroiodide
CID 111068051
1-tert-butyl-2-[[1-(3,4-dimethoxyphenyl)cyclohexyl]methyl]guanidine;hydroiodide
CID 111813289
1-(4-methoxyphenyl)-2-[(1-thiophen-2-ylcyclohexyl)methyl]guanidine
CID 111818134
2-[[1-(3,4-dimethoxyphenyl)cyclohexyl]methyl]-1-(2-methoxyethyl)guanidine
CID 111335934
1-(3,4-dimethoxyphenyl)-2-[2-(4-methoxyphenyl)ethyl]guanidine
CID 111024092
2-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-1-[4-(trifluoromethoxy)phenyl]guanidine
CID 111081304
1-(3,4-dimethoxyphenyl)-3-[[1-(4-methoxyphenyl)cyclopropyl]methyl]urea
CID 113214699
1-(3,4-dimethoxyphenyl)-2-[(1-methyl-4-piperidin-1-ylpiperidin-4-yl)methyl]guanidine
CID 111821084

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxyphenyl)-2-[[1-(4-methoxyphenyl)cyclohexyl]methyl]guanidine?
The IUPAC name of 1-(3,4-dimethoxyphenyl)-2-[[1-(4-methoxyphenyl)cyclohexyl]methyl]guanidine (CID 111081360) is 1-(3,4-dimethoxyphenyl)-2-[[1-(4-methoxyphenyl)cyclohexyl]methyl]guanidine.
What is the SMILES notation for 1-(3,4-dimethoxyphenyl)-2-[[1-(4-methoxyphenyl)cyclohexyl]methyl]guanidine?
The canonical SMILES for 1-(3,4-dimethoxyphenyl)-2-[[1-(4-methoxyphenyl)cyclohexyl]methyl]guanidine is COc1ccc(C2(C/N=C(\N)Nc3ccc(OC)c(OC)c3)CCCCC2)cc1.
What is the InChIKey of 1-(3,4-dimethoxyphenyl)-2-[[1-(4-methoxyphenyl)cyclohexyl]methyl]guanidine?
The InChIKey is OBGRPIZSMBVHDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O3/c1-27-19-10-7-17(8-11-19)23(13-5-4-6-14-23)16-25-22(24)26-18-9-12-20(28-2)21(15-18)29-3/h7-12,15H,4-6,13-14,16H2,1-3H3,(H3,24,25,26).
What are the key properties of 1-(3,4-dimethoxyphenyl)-2-[[1-(4-methoxyphenyl)cyclohexyl]methyl]guanidine?
1-(3,4-dimethoxyphenyl)-2-[[1-(4-methoxyphenyl)cyclohexyl]methyl]guanidine has a molecular weight of 397.52 g/mol, XLogP of 4.34, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethoxyphenyl)-2-[[1-(4-methoxyphenyl)cyclohexyl]methyl]guanidine is sourced from PubChem (CID 111081360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).