1-cyclohexyl-2-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]guanidine

C17H27N3O3 — CID 111058374

IUPAC1-cyclohexyl-2-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]guanidine
SMILESCOc1ccc(OC)c(C(O)C/N=C(\N)NC2CCCCC2)c1
InChIInChI=1S/C17H27N3O3/c1-22-13-8-9-16(23-2)14(10-13)15(21)11-19-17(18)20-12-6-4-3-5-7-12/h8-10,12,15,21H,3-7,11H2,1-2H3,(H3,18,19,20)
InChIKeyYSFCSZRBPITSEV-UHFFFAOYSA-N
MW321.42 g/mol
LogP1.97
Rot. Bonds6

About 1-cyclohexyl-2-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]guanidine

1-cyclohexyl-2-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]guanidine (PubChem CID 111058374) has the molecular formula C17H27N3O3 and a molecular weight of 321.42 g/mol. Its IUPAC name is 1-cyclohexyl-2-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]guanidine.

Molecular Properties

Compound Name1-cyclohexyl-2-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]guanidine
PubChem CID111058374
Molecular FormulaC17H27N3O3
Molecular Weight321.42 g/mol
Exact Mass321.21
IUPAC Name1-cyclohexyl-2-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]guanidine
SMILESCOc1ccc(OC)c(C(O)C/N=C(\N)NC2CCCCC2)c1
InChIInChI=1S/C17H27N3O3/c1-22-13-8-9-16(23-2)14(10-13)15(21)11-19-17(18)20-12-6-4-3-5-7-12/h8-10,12,15,21H,3-7,11H2,1-2H3,(H3,18,19,20)
InChIKeyYSFCSZRBPITSEV-UHFFFAOYSA-N
XLogP1.97
TPSA89.10 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 51.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-tert-butyl-2-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]guanidine;hydroiodide
CID 111058383
2-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-1-phenylguanidine
CID 110913378
2-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-1-ethyl-3-(thian-3-yl)guanidine
CID 111997571
2-[2-(2-chlorophenyl)-2-hydroxyethyl]-1-cyclohexylguanidine
CID 111801100
1-cyclohexyl-2-[2-(3-methoxyphenoxy)propyl]guanidine;hydroiodide
CID 111679097
2-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-1-ethyl-3-(3-methylcyclohexyl)guanidine;hydroiodide
CID 111991044
2-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-1-(3-ethylphenyl)guanidine;hydroiodide
CID 111058399
2-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-1-ethyl-3-(1-propylpiperidin-4-yl)guanidine
CID 111017499
1-cyclopentyl-2-[2-(4-methoxyphenyl)ethyl]guanidine
CID 55063965
(1R,2S)-2-amino-1-cyclohexyl-2-(2,5-dimethoxyphenyl)ethanol;hydrochloride
CID 171162374
N-cyclopentyl-1-(2,5-dimethoxyphenyl)ethane-1,2-diamine
CID 65382888
2-(cyclopentylmethoxy)-1-(2,5-dimethoxyphenyl)ethanol
CID 66321390

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-2-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]guanidine?
The IUPAC name of 1-cyclohexyl-2-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]guanidine (CID 111058374) is 1-cyclohexyl-2-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]guanidine.
What is the SMILES notation for 1-cyclohexyl-2-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]guanidine?
The canonical SMILES for 1-cyclohexyl-2-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]guanidine is COc1ccc(OC)c(C(O)C/N=C(\N)NC2CCCCC2)c1.
What is the InChIKey of 1-cyclohexyl-2-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]guanidine?
The InChIKey is YSFCSZRBPITSEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O3/c1-22-13-8-9-16(23-2)14(10-13)15(21)11-19-17(18)20-12-6-4-3-5-7-12/h8-10,12,15,21H,3-7,11H2,1-2H3,(H3,18,19,20).
What are the key properties of 1-cyclohexyl-2-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]guanidine?
1-cyclohexyl-2-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]guanidine has a molecular weight of 321.42 g/mol, XLogP of 1.97, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]guanidine is sourced from PubChem (CID 111058374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).