1-(4-ethylphenyl)-2-[2-(3-hydroxyphenyl)ethyl]guanidine

C17H21N3O — CID 111089911

IUPAC1-(4-ethylphenyl)-2-[2-(3-hydroxyphenyl)ethyl]guanidine
SMILESCCc1ccc(N/C(N)=N/CCc2cccc(O)c2)cc1
InChIInChI=1S/C17H21N3O/c1-2-13-6-8-15(9-7-13)20-17(18)19-11-10-14-4-3-5-16(21)12-14/h3-9,12,21H,2,10-11H2,1H3,(H3,18,19,20)
InChIKeyBRGNQGMETZGKDC-UHFFFAOYSA-N
MW283.38 g/mol
LogP2.92
Rot. Bonds5

About 1-(4-ethylphenyl)-2-[2-(3-hydroxyphenyl)ethyl]guanidine

1-(4-ethylphenyl)-2-[2-(3-hydroxyphenyl)ethyl]guanidine (PubChem CID 111089911) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-2-[2-(3-hydroxyphenyl)ethyl]guanidine.

Molecular Properties

Compound Name1-(4-ethylphenyl)-2-[2-(3-hydroxyphenyl)ethyl]guanidine
PubChem CID111089911
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC Name1-(4-ethylphenyl)-2-[2-(3-hydroxyphenyl)ethyl]guanidine
SMILESCCc1ccc(N/C(N)=N/CCc2cccc(O)c2)cc1
InChIInChI=1S/C17H21N3O/c1-2-13-6-8-15(9-7-13)20-17(18)19-11-10-14-4-3-5-16(21)12-14/h3-9,12,21H,2,10-11H2,1H3,(H3,18,19,20)
InChIKeyBRGNQGMETZGKDC-UHFFFAOYSA-N
XLogP2.92
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 52.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 1-(4-ethylphenyl)-2-[2-(3-hydroxyphenyl)ethyl]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-(4-ethylphenyl)-2-[(3-hydroxyphenyl)methyl]guanidine;hydroiodide
CID 111045959
2-[2-(3,5-difluorophenyl)ethyl]-1-(4-ethylphenyl)guanidine
CID 111090301
1-(3-ethylphenyl)-2-[2-(3-fluorophenyl)ethyl]guanidine
CID 111035398
2-[2-(4-ethylphenyl)ethyl]-1-(4-methylphenyl)guanidine;hydroiodide
CID 111802723
1-(4-ethylphenyl)-2-[3-(3-methoxyphenyl)propyl]guanidine
CID 111099326
1-(3-ethylphenyl)-2-[(3-hydroxyphenyl)methyl]guanidine;hydroiodide
CID 111045961
1-(4-ethylphenyl)-2-[2-(furan-2-yl)ethyl]guanidine
CID 111031068
1-(3-ethylphenyl)-2-[2-(3-methoxyphenyl)ethyl]guanidine
CID 111046944
N-[4-[2-[[amino-(2,6-diethylanilino)methylidene]amino]ethyl]phenyl]acetamide;hydroiodide
CID 111086226
2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-1-(4-ethylphenyl)guanidine;hydroiodide
CID 111811277
1-(4-ethylphenyl)-2-(2-pyridin-2-ylethyl)guanidine
CID 111024696
1-(4-methylphenyl)-2-(2-naphthalen-2-ylethyl)guanidine
CID 111069790

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)-2-[2-(3-hydroxyphenyl)ethyl]guanidine?
The IUPAC name of 1-(4-ethylphenyl)-2-[2-(3-hydroxyphenyl)ethyl]guanidine (CID 111089911) is 1-(4-ethylphenyl)-2-[2-(3-hydroxyphenyl)ethyl]guanidine.
What is the SMILES notation for 1-(4-ethylphenyl)-2-[2-(3-hydroxyphenyl)ethyl]guanidine?
The canonical SMILES for 1-(4-ethylphenyl)-2-[2-(3-hydroxyphenyl)ethyl]guanidine is CCc1ccc(N/C(N)=N/CCc2cccc(O)c2)cc1.
What is the InChIKey of 1-(4-ethylphenyl)-2-[2-(3-hydroxyphenyl)ethyl]guanidine?
The InChIKey is BRGNQGMETZGKDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-2-13-6-8-15(9-7-13)20-17(18)19-11-10-14-4-3-5-16(21)12-14/h3-9,12,21H,2,10-11H2,1H3,(H3,18,19,20).
What are the key properties of 1-(4-ethylphenyl)-2-[2-(3-hydroxyphenyl)ethyl]guanidine?
1-(4-ethylphenyl)-2-[2-(3-hydroxyphenyl)ethyl]guanidine has a molecular weight of 283.38 g/mol, XLogP of 2.92, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)-2-[2-(3-hydroxyphenyl)ethyl]guanidine is sourced from PubChem (CID 111089911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).