1-[3-(4-methoxyphenyl)propyl]-2-methyl-3-(1-phenylethyl)guanidine

C20H27N3O — CID 110950188

IUPAC1-[3-(4-methoxyphenyl)propyl]-2-methyl-3-(1-phenylethyl)guanidine
SMILESC/N=C(/NCCCc1ccc(OC)cc1)NC(C)c1ccccc1
InChIInChI=1S/C20H27N3O/c1-16(18-9-5-4-6-10-18)23-20(21-2)22-15-7-8-17-11-13-19(24-3)14-12-17/h4-6,9-14,16H,7-8,15H2,1-3H3,(H2,21,22,23)
InChIKeyXOUJKPNMIZWWBU-UHFFFAOYSA-N
MW325.46 g/mol
LogP3.55
Rot. Bonds7

About 1-[3-(4-methoxyphenyl)propyl]-2-methyl-3-(1-phenylethyl)guanidine

1-[3-(4-methoxyphenyl)propyl]-2-methyl-3-(1-phenylethyl)guanidine (PubChem CID 110950188) has the molecular formula C20H27N3O and a molecular weight of 325.46 g/mol. Its IUPAC name is 1-[3-(4-methoxyphenyl)propyl]-2-methyl-3-(1-phenylethyl)guanidine.

Molecular Properties

Compound Name1-[3-(4-methoxyphenyl)propyl]-2-methyl-3-(1-phenylethyl)guanidine
PubChem CID110950188
Molecular FormulaC20H27N3O
Molecular Weight325.46 g/mol
Exact Mass325.22
IUPAC Name1-[3-(4-methoxyphenyl)propyl]-2-methyl-3-(1-phenylethyl)guanidine
SMILESC/N=C(/NCCCc1ccc(OC)cc1)NC(C)c1ccccc1
InChIInChI=1S/C20H27N3O/c1-16(18-9-5-4-6-10-18)23-20(21-2)22-15-7-8-17-11-13-19(24-3)14-12-17/h4-6,9-14,16H,7-8,15H2,1-3H3,(H2,21,22,23)
InChIKeyXOUJKPNMIZWWBU-UHFFFAOYSA-N
XLogP3.55
TPSA45.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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'}

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Related Compounds

1-[2-(4-chlorophenyl)ethyl]-2-methyl-3-(1-phenylethyl)guanidine
CID 110949000
1-[5-(diethylamino)pentan-2-yl]-3-[3-(4-methoxyphenyl)propyl]-2-methylguanidine
CID 111000101
1-[2-(4-methoxyphenyl)ethyl]-2-methyl-3-propan-2-ylguanidine
CID 111125708
2-methyl-1-(1-phenylethyl)-3-[2-(2,4,6-trimethoxyphenyl)ethyl]guanidine;hydroiodide
CID 111545776
1-hexyl-2-methyl-3-(1-phenylethyl)guanidine
CID 110948974
2-methyl-1-(1-phenylethyl)-3-propylguanidine
CID 110949022
methyl 7-[[N'-methyl-N-(1-phenylethyl)carbamimidoyl]amino]heptanoate
CID 110949926
2-methyl-1-(2-phenoxyethyl)-3-(1-phenylethyl)guanidine
CID 75532598
1-[3-(3-methoxyphenyl)propyl]-2-methyl-3-(3-methylbutan-2-yl)guanidine
CID 111002379
2-methyl-1-[4-[methyl(propan-2-yl)amino]butyl]-3-(1-phenylethyl)guanidine;hydroiodide
CID 110950133
1-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-2-methyl-3-(3-phenylpropyl)guanidine;hydroiodide
CID 111199767
2-amino-N-[3-(4-methoxyphenyl)propyl]-2-phenylacetamide
CID 119299639

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-methoxyphenyl)propyl]-2-methyl-3-(1-phenylethyl)guanidine?
The IUPAC name of 1-[3-(4-methoxyphenyl)propyl]-2-methyl-3-(1-phenylethyl)guanidine (CID 110950188) is 1-[3-(4-methoxyphenyl)propyl]-2-methyl-3-(1-phenylethyl)guanidine.
What is the SMILES notation for 1-[3-(4-methoxyphenyl)propyl]-2-methyl-3-(1-phenylethyl)guanidine?
The canonical SMILES for 1-[3-(4-methoxyphenyl)propyl]-2-methyl-3-(1-phenylethyl)guanidine is C/N=C(/NCCCc1ccc(OC)cc1)NC(C)c1ccccc1.
What is the InChIKey of 1-[3-(4-methoxyphenyl)propyl]-2-methyl-3-(1-phenylethyl)guanidine?
The InChIKey is XOUJKPNMIZWWBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O/c1-16(18-9-5-4-6-10-18)23-20(21-2)22-15-7-8-17-11-13-19(24-3)14-12-17/h4-6,9-14,16H,7-8,15H2,1-3H3,(H2,21,22,23).
What are the key properties of 1-[3-(4-methoxyphenyl)propyl]-2-methyl-3-(1-phenylethyl)guanidine?
1-[3-(4-methoxyphenyl)propyl]-2-methyl-3-(1-phenylethyl)guanidine has a molecular weight of 325.46 g/mol, XLogP of 3.55, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-methoxyphenyl)propyl]-2-methyl-3-(1-phenylethyl)guanidine is sourced from PubChem (CID 110950188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).