1-ethyl-2-[2-(3-fluorophenyl)-2-methylpropyl]-3-(4-hydroxycyclohexyl)guanidine

C19H30FN3O — CID 111979521

IUPAC1-ethyl-2-[2-(3-fluorophenyl)-2-methylpropyl]-3-(4-hydroxycyclohexyl)guanidine
SMILESCCN/C(=N\CC(C)(C)c1cccc(F)c1)NC1CCC(O)CC1
InChIInChI=1S/C19H30FN3O/c1-4-21-18(23-16-8-10-17(24)11-9-16)22-13-19(2,3)14-6-5-7-15(20)12-14/h5-7,12,16-17,24H,4,8-11,13H2,1-3H3,(H2,21,22,23)
InChIKeyOVOPGJHBDXSISS-UHFFFAOYSA-N
MW335.47 g/mol
LogP2.96
Rot. Bonds5

About 1-ethyl-2-[2-(3-fluorophenyl)-2-methylpropyl]-3-(4-hydroxycyclohexyl)guanidine

1-ethyl-2-[2-(3-fluorophenyl)-2-methylpropyl]-3-(4-hydroxycyclohexyl)guanidine (PubChem CID 111979521) has the molecular formula C19H30FN3O and a molecular weight of 335.47 g/mol. Its IUPAC name is 1-ethyl-2-[2-(3-fluorophenyl)-2-methylpropyl]-3-(4-hydroxycyclohexyl)guanidine.

Molecular Properties

Compound Name1-ethyl-2-[2-(3-fluorophenyl)-2-methylpropyl]-3-(4-hydroxycyclohexyl)guanidine
PubChem CID111979521
Molecular FormulaC19H30FN3O
Molecular Weight335.47 g/mol
Exact Mass335.24
IUPAC Name1-ethyl-2-[2-(3-fluorophenyl)-2-methylpropyl]-3-(4-hydroxycyclohexyl)guanidine
SMILESCCN/C(=N\CC(C)(C)c1cccc(F)c1)NC1CCC(O)CC1
InChIInChI=1S/C19H30FN3O/c1-4-21-18(23-16-8-10-17(24)11-9-16)22-13-19(2,3)14-6-5-7-15(20)12-14/h5-7,12,16-17,24H,4,8-11,13H2,1-3H3,(H2,21,22,23)
InChIKeyOVOPGJHBDXSISS-UHFFFAOYSA-N
XLogP2.96
TPSA56.65 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.47
LogP ≤ 52.96
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-ethyl-2-[2-(3-fluorophenyl)-2-methylpropyl]-3-(4-hydroxycyclohexyl)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-[2-(4-fluorophenyl)-2-methylpropyl]-3-(4-hydroxycyclohexyl)guanidine;hydroiodide
CID 111189673
2-[2-(4-bromophenyl)-2-methylpropyl]-1-ethyl-3-(4-hydroxycyclohexyl)guanidine
CID 111190612
1-ethyl-2-[2-(3-fluorophenyl)-2-methylpropyl]-3-prop-2-enylguanidine
CID 111624782
1-cyclopropyl-3-ethyl-2-[2-(2-fluorophenyl)-2-methylpropyl]guanidine
CID 110988794
1-cyclopropyl-2-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]-3-ethylguanidine
CID 111549015
1-ethyl-3-(4-hydroxycyclohexyl)-2-[[3-(trifluoromethyl)phenyl]methyl]guanidine;hydroiodide
CID 111190569
1-(2-ethoxyethyl)-3-ethyl-2-[2-(3-fluorophenyl)-2-methylpropyl]guanidine
CID 111625670
1-cyclopropyl-3-ethyl-2-[2-(3-fluorophenyl)ethyl]guanidine
CID 110989245
2-(2,2-dimethyl-3-phenylpropyl)-1-ethyl-3-(4-hydroxycyclohexyl)guanidine
CID 111979093
1-ethyl-2-[2-(3-fluorophenyl)-2-methylpropyl]-3-[(1-propylpyrrolidin-3-yl)methyl]guanidine;hydroiodide
CID 111625037
1-ethyl-3-[2-(4-ethylpiperazin-1-yl)ethyl]-2-[2-(3-fluorophenyl)-2-methylpropyl]guanidine;hydroiodide
CID 111625465
N-ethyl-N'-[2-(3-fluorophenyl)-2-methylpropyl]-1,3,3a,4,5,6,7,7a-octahydro-4,7-epoxyisoindole-2-carboximidamide
CID 119160758

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-[2-(3-fluorophenyl)-2-methylpropyl]-3-(4-hydroxycyclohexyl)guanidine?
The IUPAC name of 1-ethyl-2-[2-(3-fluorophenyl)-2-methylpropyl]-3-(4-hydroxycyclohexyl)guanidine (CID 111979521) is 1-ethyl-2-[2-(3-fluorophenyl)-2-methylpropyl]-3-(4-hydroxycyclohexyl)guanidine.
What is the SMILES notation for 1-ethyl-2-[2-(3-fluorophenyl)-2-methylpropyl]-3-(4-hydroxycyclohexyl)guanidine?
The canonical SMILES for 1-ethyl-2-[2-(3-fluorophenyl)-2-methylpropyl]-3-(4-hydroxycyclohexyl)guanidine is CCN/C(=N\CC(C)(C)c1cccc(F)c1)NC1CCC(O)CC1.
What is the InChIKey of 1-ethyl-2-[2-(3-fluorophenyl)-2-methylpropyl]-3-(4-hydroxycyclohexyl)guanidine?
The InChIKey is OVOPGJHBDXSISS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30FN3O/c1-4-21-18(23-16-8-10-17(24)11-9-16)22-13-19(2,3)14-6-5-7-15(20)12-14/h5-7,12,16-17,24H,4,8-11,13H2,1-3H3,(H2,21,22,23).
What are the key properties of 1-ethyl-2-[2-(3-fluorophenyl)-2-methylpropyl]-3-(4-hydroxycyclohexyl)guanidine?
1-ethyl-2-[2-(3-fluorophenyl)-2-methylpropyl]-3-(4-hydroxycyclohexyl)guanidine has a molecular weight of 335.47 g/mol, XLogP of 2.96, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-[2-(3-fluorophenyl)-2-methylpropyl]-3-(4-hydroxycyclohexyl)guanidine is sourced from PubChem (CID 111979521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).