1-[(4-chloro-2-methoxyphenyl)methyl]-2-methyl-3-(2-phenoxyethyl)guanidine

C18H22ClN3O2 — CID 111834177

IUPAC1-[(4-chloro-2-methoxyphenyl)methyl]-2-methyl-3-(2-phenoxyethyl)guanidine
SMILESC/N=C(\NCCOc1ccccc1)NCc1ccc(Cl)cc1OC
InChIInChI=1S/C18H22ClN3O2/c1-20-18(21-10-11-24-16-6-4-3-5-7-16)22-13-14-8-9-15(19)12-17(14)23-2/h3-9,12H,10-11,13H2,1-2H3,(H2,20,21,22)
InChIKeyGRDVMESADIDISC-UHFFFAOYSA-N
MW347.85 g/mol
LogP3.09
Rot. Bonds7

About 1-[(4-chloro-2-methoxyphenyl)methyl]-2-methyl-3-(2-phenoxyethyl)guanidine

1-[(4-chloro-2-methoxyphenyl)methyl]-2-methyl-3-(2-phenoxyethyl)guanidine (PubChem CID 111834177) has the molecular formula C18H22ClN3O2 and a molecular weight of 347.85 g/mol. Its IUPAC name is 1-[(4-chloro-2-methoxyphenyl)methyl]-2-methyl-3-(2-phenoxyethyl)guanidine.

Molecular Properties

Compound Name1-[(4-chloro-2-methoxyphenyl)methyl]-2-methyl-3-(2-phenoxyethyl)guanidine
PubChem CID111834177
Molecular FormulaC18H22ClN3O2
Molecular Weight347.85 g/mol
Exact Mass347.14
IUPAC Name1-[(4-chloro-2-methoxyphenyl)methyl]-2-methyl-3-(2-phenoxyethyl)guanidine
SMILESC/N=C(\NCCOc1ccccc1)NCc1ccc(Cl)cc1OC
InChIInChI=1S/C18H22ClN3O2/c1-20-18(21-10-11-24-16-6-4-3-5-7-16)22-13-14-8-9-15(19)12-17(14)23-2/h3-9,12H,10-11,13H2,1-2H3,(H2,20,21,22)
InChIKeyGRDVMESADIDISC-UHFFFAOYSA-N
XLogP3.09
TPSA54.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.85
LogP ≤ 53.09
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'}

Analyze 1-[(4-chloro-2-methoxyphenyl)methyl]-2-methyl-3-(2-phenoxyethyl)guanidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-1-(3-phenoxypropyl)-3-[(2,4,5-trimethoxyphenyl)methyl]guanidine
CID 111368337
1-butyl-3-[(4-chloro-2-methoxyphenyl)methyl]-2-methylguanidine;hydroiodide
CID 111835238
1-[3-(4-methoxyphenoxy)propyl]-3-[(2-methoxyphenyl)methyl]-2-methylguanidine
CID 111217667
1-[(2,4-dimethoxyphenyl)methyl]-3-[2-(3-fluorophenoxy)ethyl]-2-methylguanidine;hydroiodide
CID 111878250
1-[(3-methoxy-4-methylphenyl)methyl]-2-methyl-3-(2-phenoxyethyl)guanidine;hydroiodide
CID 111004640
1-[(3-chlorophenyl)methyl]-3-[2-(4-methoxyphenoxy)ethyl]-2-methylguanidine
CID 111175984
2-methyl-1-(2-phenoxyethyl)-3-[[2-(2,2,2-trifluoroethoxy)phenyl]methyl]guanidine
CID 111006763
1-[(3-chlorophenyl)methyl]-3-[2-(3-methoxyphenoxy)ethyl]-2-methylguanidine
CID 111176422
1-[(3-ethoxy-4-methoxyphenyl)methyl]-2-methyl-3-(2-phenoxyethyl)guanidine;hydroiodide
CID 111779944
1-[(2-cyclobutyloxyphenyl)methyl]-2-methyl-3-(2-phenoxyethyl)guanidine
CID 111625944
1-[(4-methoxy-3-methylphenyl)methyl]-2-methyl-3-(3-phenoxypropyl)guanidine;hydroiodide
CID 111418884
1-[(2,4-dimethoxyphenyl)methyl]-3-[4-(4-fluorophenoxy)butyl]-2-methylguanidine
CID 111419743

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chloro-2-methoxyphenyl)methyl]-2-methyl-3-(2-phenoxyethyl)guanidine?
The IUPAC name of 1-[(4-chloro-2-methoxyphenyl)methyl]-2-methyl-3-(2-phenoxyethyl)guanidine (CID 111834177) is 1-[(4-chloro-2-methoxyphenyl)methyl]-2-methyl-3-(2-phenoxyethyl)guanidine.
What is the SMILES notation for 1-[(4-chloro-2-methoxyphenyl)methyl]-2-methyl-3-(2-phenoxyethyl)guanidine?
The canonical SMILES for 1-[(4-chloro-2-methoxyphenyl)methyl]-2-methyl-3-(2-phenoxyethyl)guanidine is C/N=C(\NCCOc1ccccc1)NCc1ccc(Cl)cc1OC.
What is the InChIKey of 1-[(4-chloro-2-methoxyphenyl)methyl]-2-methyl-3-(2-phenoxyethyl)guanidine?
The InChIKey is GRDVMESADIDISC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN3O2/c1-20-18(21-10-11-24-16-6-4-3-5-7-16)22-13-14-8-9-15(19)12-17(14)23-2/h3-9,12H,10-11,13H2,1-2H3,(H2,20,21,22).
What are the key properties of 1-[(4-chloro-2-methoxyphenyl)methyl]-2-methyl-3-(2-phenoxyethyl)guanidine?
1-[(4-chloro-2-methoxyphenyl)methyl]-2-methyl-3-(2-phenoxyethyl)guanidine has a molecular weight of 347.85 g/mol, XLogP of 3.09, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chloro-2-methoxyphenyl)methyl]-2-methyl-3-(2-phenoxyethyl)guanidine is sourced from PubChem (CID 111834177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).