1-ethyl-3-(4-hydroxycyclohexyl)-2-[2-(2-propan-2-ylphenoxy)ethyl]guanidine

C20H33N3O2 — CID 111979179

IUPAC1-ethyl-3-(4-hydroxycyclohexyl)-2-[2-(2-propan-2-ylphenoxy)ethyl]guanidine
SMILESCCN/C(=N\CCOc1ccccc1C(C)C)NC1CCC(O)CC1
InChIInChI=1S/C20H33N3O2/c1-4-21-20(23-16-9-11-17(24)12-10-16)22-13-14-25-19-8-6-5-7-18(19)15(2)3/h5-8,15-17,24H,4,9-14H2,1-3H3,(H2,21,22,23)
InChIKeyLHJGSKWYZFTEEC-UHFFFAOYSA-N
MW347.50 g/mol
LogP3.05
Rot. Bonds7

About 1-ethyl-3-(4-hydroxycyclohexyl)-2-[2-(2-propan-2-ylphenoxy)ethyl]guanidine

1-ethyl-3-(4-hydroxycyclohexyl)-2-[2-(2-propan-2-ylphenoxy)ethyl]guanidine (PubChem CID 111979179) has the molecular formula C20H33N3O2 and a molecular weight of 347.50 g/mol. Its IUPAC name is 1-ethyl-3-(4-hydroxycyclohexyl)-2-[2-(2-propan-2-ylphenoxy)ethyl]guanidine.

Molecular Properties

Compound Name1-ethyl-3-(4-hydroxycyclohexyl)-2-[2-(2-propan-2-ylphenoxy)ethyl]guanidine
PubChem CID111979179
Molecular FormulaC20H33N3O2
Molecular Weight347.50 g/mol
Exact Mass347.26
IUPAC Name1-ethyl-3-(4-hydroxycyclohexyl)-2-[2-(2-propan-2-ylphenoxy)ethyl]guanidine
SMILESCCN/C(=N\CCOc1ccccc1C(C)C)NC1CCC(O)CC1
InChIInChI=1S/C20H33N3O2/c1-4-21-20(23-16-9-11-17(24)12-10-16)22-13-14-25-19-8-6-5-7-18(19)15(2)3/h5-8,15-17,24H,4,9-14H2,1-3H3,(H2,21,22,23)
InChIKeyLHJGSKWYZFTEEC-UHFFFAOYSA-N
XLogP3.05
TPSA65.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.50
LogP ≤ 53.05
H-Bond Donors ≤ 53
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'}

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Related Compounds

2-[2-(2,4-difluorophenoxy)ethyl]-1-ethyl-3-(4-hydroxycyclohexyl)guanidine
CID 111979027
2-[2-(2,6-dimethylphenoxy)ethyl]-1-ethyl-3-(4-hydroxycyclohexyl)guanidine
CID 111190342
1-cyclopropyl-3-ethyl-2-(2-naphthalen-1-yloxyethyl)guanidine;hydroiodide
CID 110988455
1-cyclopentyl-3-ethyl-2-[2-(2-methylphenoxy)ethyl]guanidine;hydroiodide
CID 110992728
1-ethyl-2-[2-(2-methylphenoxy)ethyl]-3-(1-propylpiperidin-4-yl)guanidine;hydroiodide
CID 111019928
1-ethyl-3-(4-hydroxycyclohexyl)-2-(2-phenylmethoxyethyl)guanidine;hydroiodide
CID 111978883
1-ethyl-3-(4-hydroxycyclohexyl)-2-[2-(3-methoxyphenoxy)ethyl]guanidine;hydroiodide
CID 111190307
1-cyclopropyl-2-[2-(2,4-difluorophenoxy)ethyl]-3-ethylguanidine
CID 111548975
2-(3,3-diphenylpropyl)-1-ethyl-3-(4-hydroxycyclohexyl)guanidine;hydroiodide
CID 111190741
1-ethyl-3-(4-hydroxycyclohexyl)-2-[3-(2-methoxyphenyl)sulfanyl-2-methylpropyl]guanidine
CID 111190208
1-ethyl-3-(4-hydroxycyclohexyl)-2-[(2-methoxyphenyl)methyl]guanidine
CID 111189862
2-[2-(4-butoxyphenyl)ethyl]-1-ethyl-3-(4-hydroxycyclohexyl)guanidine
CID 111190812

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(4-hydroxycyclohexyl)-2-[2-(2-propan-2-ylphenoxy)ethyl]guanidine?
The IUPAC name of 1-ethyl-3-(4-hydroxycyclohexyl)-2-[2-(2-propan-2-ylphenoxy)ethyl]guanidine (CID 111979179) is 1-ethyl-3-(4-hydroxycyclohexyl)-2-[2-(2-propan-2-ylphenoxy)ethyl]guanidine.
What is the SMILES notation for 1-ethyl-3-(4-hydroxycyclohexyl)-2-[2-(2-propan-2-ylphenoxy)ethyl]guanidine?
The canonical SMILES for 1-ethyl-3-(4-hydroxycyclohexyl)-2-[2-(2-propan-2-ylphenoxy)ethyl]guanidine is CCN/C(=N\CCOc1ccccc1C(C)C)NC1CCC(O)CC1.
What is the InChIKey of 1-ethyl-3-(4-hydroxycyclohexyl)-2-[2-(2-propan-2-ylphenoxy)ethyl]guanidine?
The InChIKey is LHJGSKWYZFTEEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N3O2/c1-4-21-20(23-16-9-11-17(24)12-10-16)22-13-14-25-19-8-6-5-7-18(19)15(2)3/h5-8,15-17,24H,4,9-14H2,1-3H3,(H2,21,22,23).
What are the key properties of 1-ethyl-3-(4-hydroxycyclohexyl)-2-[2-(2-propan-2-ylphenoxy)ethyl]guanidine?
1-ethyl-3-(4-hydroxycyclohexyl)-2-[2-(2-propan-2-ylphenoxy)ethyl]guanidine has a molecular weight of 347.50 g/mol, XLogP of 3.05, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(4-hydroxycyclohexyl)-2-[2-(2-propan-2-ylphenoxy)ethyl]guanidine is sourced from PubChem (CID 111979179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).