1-(2-hydroxyphenyl)-2-(2-methoxyethyl)-3-(2-methylcyclohexyl)guanidine

C17H27N3O2 — CID 134099452

IUPAC1-(2-hydroxyphenyl)-2-(2-methoxyethyl)-3-(2-methylcyclohexyl)guanidine
SMILESCOCC/N=C(/Nc1ccccc1O)NC1CCCCC1C
InChIInChI=1S/C17H27N3O2/c1-13-7-3-4-8-14(13)19-17(18-11-12-22-2)20-15-9-5-6-10-16(15)21/h5-6,9-10,13-14,21H,3-4,7-8,11-12H2,1-2H3,(H2,18,19,20)
InChIKeyGEORJDUWCSTCPT-UHFFFAOYSA-N
MW305.42 g/mol
LogP2.97
Rot. Bonds5

About 1-(2-hydroxyphenyl)-2-(2-methoxyethyl)-3-(2-methylcyclohexyl)guanidine

1-(2-hydroxyphenyl)-2-(2-methoxyethyl)-3-(2-methylcyclohexyl)guanidine (PubChem CID 134099452) has the molecular formula C17H27N3O2 and a molecular weight of 305.42 g/mol. Its IUPAC name is 1-(2-hydroxyphenyl)-2-(2-methoxyethyl)-3-(2-methylcyclohexyl)guanidine.

Molecular Properties

Compound Name1-(2-hydroxyphenyl)-2-(2-methoxyethyl)-3-(2-methylcyclohexyl)guanidine
PubChem CID134099452
Molecular FormulaC17H27N3O2
Molecular Weight305.42 g/mol
Exact Mass305.21
IUPAC Name1-(2-hydroxyphenyl)-2-(2-methoxyethyl)-3-(2-methylcyclohexyl)guanidine
SMILESCOCC/N=C(/Nc1ccccc1O)NC1CCCCC1C
InChIInChI=1S/C17H27N3O2/c1-13-7-3-4-8-14(13)19-17(18-11-12-22-2)20-15-9-5-6-10-16(15)21/h5-6,9-10,13-14,21H,3-4,7-8,11-12H2,1-2H3,(H2,18,19,20)
InChIKeyGEORJDUWCSTCPT-UHFFFAOYSA-N
XLogP2.97
TPSA65.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 52.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'catechol', '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-hydroxyphenyl)-3-(2-methylcyclohexyl)-2-(oxolan-2-ylmethyl)guanidine
CID 134099454
1-(5-fluoro-2-hydroxyphenyl)-2-(2-hydroxyethyl)-3-(2-methylcyclohexyl)guanidine
CID 134099583
methyl 4-hydroxy-3-[[N'-[2-(4-hydroxyphenyl)ethyl]-N-(2-methylcyclohexyl)carbamimidoyl]amino]benzoate
CID 134111510
1-cycloheptyl-2-(3-ethoxypropyl)-3-(2-hydroxyphenyl)guanidine
CID 134091630
1-(5-tert-butyl-2-hydroxyphenyl)-3-cycloheptyl-2-(2-methoxyethyl)guanidine
CID 134091720
1-(2-hydroxy-5-phenylphenyl)-3-(2-methylcyclohexyl)-2-(oxolan-2-ylmethyl)guanidine
CID 134111473
1-(2-hydroxy-5-phenylphenyl)-3-(2-methylcyclohexyl)-2-[3-(2-oxopyrrolidin-1-yl)propyl]guanidine
CID 134111480
2-(2,2-dimethylpropyl)-1-(5-fluoro-2-hydroxyphenyl)-3-(2-methylcyclohexyl)guanidine
CID 134099594
1-(5-fluoro-2-hydroxyphenyl)-3-(2-methylcyclohexyl)-2-(thiophen-2-ylmethyl)guanidine
CID 134099585
1-[2-(methoxymethyl)phenyl]-3-[(1S,2R)-2-methylcyclohexyl]urea
CID 94081568
1-(5-fluoro-2-hydroxyphenyl)-2-(3-imidazol-1-ylpropyl)-3-(2-methylcyclohexyl)guanidine
CID 134099580
1-(2-methoxyphenyl)-3-[(1R,2R)-2-methylcyclohexyl]urea
CID 40636375

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyphenyl)-2-(2-methoxyethyl)-3-(2-methylcyclohexyl)guanidine?
The IUPAC name of 1-(2-hydroxyphenyl)-2-(2-methoxyethyl)-3-(2-methylcyclohexyl)guanidine (CID 134099452) is 1-(2-hydroxyphenyl)-2-(2-methoxyethyl)-3-(2-methylcyclohexyl)guanidine.
What is the SMILES notation for 1-(2-hydroxyphenyl)-2-(2-methoxyethyl)-3-(2-methylcyclohexyl)guanidine?
The canonical SMILES for 1-(2-hydroxyphenyl)-2-(2-methoxyethyl)-3-(2-methylcyclohexyl)guanidine is COCC/N=C(/Nc1ccccc1O)NC1CCCCC1C.
What is the InChIKey of 1-(2-hydroxyphenyl)-2-(2-methoxyethyl)-3-(2-methylcyclohexyl)guanidine?
The InChIKey is GEORJDUWCSTCPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2/c1-13-7-3-4-8-14(13)19-17(18-11-12-22-2)20-15-9-5-6-10-16(15)21/h5-6,9-10,13-14,21H,3-4,7-8,11-12H2,1-2H3,(H2,18,19,20).
What are the key properties of 1-(2-hydroxyphenyl)-2-(2-methoxyethyl)-3-(2-methylcyclohexyl)guanidine?
1-(2-hydroxyphenyl)-2-(2-methoxyethyl)-3-(2-methylcyclohexyl)guanidine has a molecular weight of 305.42 g/mol, XLogP of 2.97, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyphenyl)-2-(2-methoxyethyl)-3-(2-methylcyclohexyl)guanidine is sourced from PubChem (CID 134099452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).