1-ethyl-3-[3-(4-hydroxyphenyl)propyl]-2-[(2-methylphenyl)methyl]guanidine

C20H27N3O — CID 111796732

IUPAC1-ethyl-3-[3-(4-hydroxyphenyl)propyl]-2-[(2-methylphenyl)methyl]guanidine
SMILESCCN/C(=N\Cc1ccccc1C)NCCCc1ccc(O)cc1
InChIInChI=1S/C20H27N3O/c1-3-21-20(23-15-18-9-5-4-7-16(18)2)22-14-6-8-17-10-12-19(24)13-11-17/h4-5,7,9-13,24H,3,6,8,14-15H2,1-2H3,(H2,21,22,23)
InChIKeyJLOOZPYYFOAXBV-UHFFFAOYSA-N
MW325.46 g/mol
LogP3.39
Rot. Bonds7

About 1-ethyl-3-[3-(4-hydroxyphenyl)propyl]-2-[(2-methylphenyl)methyl]guanidine

1-ethyl-3-[3-(4-hydroxyphenyl)propyl]-2-[(2-methylphenyl)methyl]guanidine (PubChem CID 111796732) has the molecular formula C20H27N3O and a molecular weight of 325.46 g/mol. Its IUPAC name is 1-ethyl-3-[3-(4-hydroxyphenyl)propyl]-2-[(2-methylphenyl)methyl]guanidine.

Molecular Properties

Compound Name1-ethyl-3-[3-(4-hydroxyphenyl)propyl]-2-[(2-methylphenyl)methyl]guanidine
PubChem CID111796732
Molecular FormulaC20H27N3O
Molecular Weight325.46 g/mol
Exact Mass325.22
IUPAC Name1-ethyl-3-[3-(4-hydroxyphenyl)propyl]-2-[(2-methylphenyl)methyl]guanidine
SMILESCCN/C(=N\Cc1ccccc1C)NCCCc1ccc(O)cc1
InChIInChI=1S/C20H27N3O/c1-3-21-20(23-15-18-9-5-4-7-16(18)2)22-14-6-8-17-10-12-19(24)13-11-17/h4-5,7,9-13,24H,3,6,8,14-15H2,1-2H3,(H2,21,22,23)
InChIKeyJLOOZPYYFOAXBV-UHFFFAOYSA-N
XLogP3.39
TPSA56.65 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 53.39
H-Bond Donors ≤ 53
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'}

Analyze 1-ethyl-3-[3-(4-hydroxyphenyl)propyl]-2-[(2-methylphenyl)methyl]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

1-ethyl-2-[(4-fluorophenyl)methyl]-3-[3-(4-hydroxyphenyl)propyl]guanidine
CID 111794182
1-ethyl-3-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]-2-[(2-methylphenyl)methyl]guanidine;hydroiodide
CID 111360508
1-ethyl-2-(furan-2-ylmethyl)-3-[3-(4-hydroxyphenyl)propyl]guanidine
CID 111790018
1-ethyl-2-[(2-methylphenyl)methyl]-3-[(E)-pent-3-enyl]guanidine
CID 111587867
1-ethyl-3-(5-methoxypentyl)-2-[(2-methylphenyl)methyl]guanidine;hydroiodide
CID 111360950
1-[2-(tert-butylamino)ethyl]-3-ethyl-2-[(2-methylphenyl)methyl]guanidine
CID 111766901
1-[2-(diethylamino)ethyl]-3-ethyl-2-[(2-methylphenyl)methyl]guanidine
CID 111360277
1-(2-butoxyethyl)-3-ethyl-2-[(2-methylphenyl)methyl]guanidine
CID 111360023
1-ethyl-2-[(2-methylphenyl)methyl]-3-[3-(2-methylpropoxy)propyl]guanidine
CID 111360555
1-ethyl-2-[[2-(methanesulfonamido)phenyl]methyl]-3-(3-phenylpropyl)guanidine
CID 111199894
1-ethyl-2-[(2-methylphenyl)methyl]-3-[4-(4-methyl-1,3-thiazol-2-yl)butyl]guanidine;hydroiodide
CID 111360768
1-ethyl-2-[(4-hydroxyphenyl)methyl]-3-pentylguanidine;hydroiodide
CID 111128660

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[3-(4-hydroxyphenyl)propyl]-2-[(2-methylphenyl)methyl]guanidine?
The IUPAC name of 1-ethyl-3-[3-(4-hydroxyphenyl)propyl]-2-[(2-methylphenyl)methyl]guanidine (CID 111796732) is 1-ethyl-3-[3-(4-hydroxyphenyl)propyl]-2-[(2-methylphenyl)methyl]guanidine.
What is the SMILES notation for 1-ethyl-3-[3-(4-hydroxyphenyl)propyl]-2-[(2-methylphenyl)methyl]guanidine?
The canonical SMILES for 1-ethyl-3-[3-(4-hydroxyphenyl)propyl]-2-[(2-methylphenyl)methyl]guanidine is CCN/C(=N\Cc1ccccc1C)NCCCc1ccc(O)cc1.
What is the InChIKey of 1-ethyl-3-[3-(4-hydroxyphenyl)propyl]-2-[(2-methylphenyl)methyl]guanidine?
The InChIKey is JLOOZPYYFOAXBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O/c1-3-21-20(23-15-18-9-5-4-7-16(18)2)22-14-6-8-17-10-12-19(24)13-11-17/h4-5,7,9-13,24H,3,6,8,14-15H2,1-2H3,(H2,21,22,23).
What are the key properties of 1-ethyl-3-[3-(4-hydroxyphenyl)propyl]-2-[(2-methylphenyl)methyl]guanidine?
1-ethyl-3-[3-(4-hydroxyphenyl)propyl]-2-[(2-methylphenyl)methyl]guanidine has a molecular weight of 325.46 g/mol, XLogP of 3.39, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[3-(4-hydroxyphenyl)propyl]-2-[(2-methylphenyl)methyl]guanidine is sourced from PubChem (CID 111796732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).