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

C19H30BrN3O — CID 111190612

IUPAC2-[2-(4-bromophenyl)-2-methylpropyl]-1-ethyl-3-(4-hydroxycyclohexyl)guanidine
SMILESCCN/C(=N\CC(C)(C)c1ccc(Br)cc1)NC1CCC(O)CC1
InChIInChI=1S/C19H30BrN3O/c1-4-21-18(23-16-9-11-17(24)12-10-16)22-13-19(2,3)14-5-7-15(20)8-6-14/h5-8,16-17,24H,4,9-13H2,1-3H3,(H2,21,22,23)
InChIKeyVNZUDNQFEFUQNW-UHFFFAOYSA-N
MW396.37 g/mol
LogP3.59
Rot. Bonds5

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

2-[2-(4-bromophenyl)-2-methylpropyl]-1-ethyl-3-(4-hydroxycyclohexyl)guanidine (PubChem CID 111190612) has the molecular formula C19H30BrN3O and a molecular weight of 396.37 g/mol. Its IUPAC name is 2-[2-(4-bromophenyl)-2-methylpropyl]-1-ethyl-3-(4-hydroxycyclohexyl)guanidine.

Molecular Properties

Compound Name2-[2-(4-bromophenyl)-2-methylpropyl]-1-ethyl-3-(4-hydroxycyclohexyl)guanidine
PubChem CID111190612
Molecular FormulaC19H30BrN3O
Molecular Weight396.37 g/mol
Exact Mass395.16
IUPAC Name2-[2-(4-bromophenyl)-2-methylpropyl]-1-ethyl-3-(4-hydroxycyclohexyl)guanidine
SMILESCCN/C(=N\CC(C)(C)c1ccc(Br)cc1)NC1CCC(O)CC1
InChIInChI=1S/C19H30BrN3O/c1-4-21-18(23-16-9-11-17(24)12-10-16)22-13-19(2,3)14-5-7-15(20)8-6-14/h5-8,16-17,24H,4,9-13H2,1-3H3,(H2,21,22,23)
InChIKeyVNZUDNQFEFUQNW-UHFFFAOYSA-N
XLogP3.59
TPSA56.65 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.37
LogP ≤ 53.59
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 2-[2-(4-bromophenyl)-2-methylpropyl]-1-ethyl-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-(1,1-dioxothiolan-3-yl)-3-ethylguanidine
CID 111143546
1-ethyl-2-[2-(3-fluorophenyl)-2-methylpropyl]-3-(4-hydroxycyclohexyl)guanidine
CID 111979521
1-cyclopropyl-2-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]-3-ethylguanidine
CID 111549015
2-(2,2-dimethyl-3-phenylpropyl)-1-ethyl-3-(4-hydroxycyclohexyl)guanidine
CID 111979093
2-[[1-(4-bromophenyl)cyclobutyl]methyl]-1-ethyl-3-(4-hydroxycyclohexyl)guanidine;hydroiodide
CID 111189743
1-cyclopropyl-3-ethyl-2-[2-(2-fluorophenyl)-2-methylpropyl]guanidine
CID 110988794
1-cyclopentyl-2-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]-3-ethylguanidine;hydroiodide
CID 111833900
2-[3-(4-bromo-2-fluorophenyl)propyl]-1-ethyl-3-(4-hydroxycyclohexyl)guanidine;hydroiodide
CID 111979428
2-[(4-tert-butylphenyl)methyl]-1-cyclopropyl-3-ethylguanidine
CID 110989487
2-[(5-bromo-2-methoxyphenyl)methyl]-1-ethyl-3-(4-hydroxycyclohexyl)guanidine;hydroiodide
CID 111189583
2-benzyl-1-ethyl-3-(4-hydroxycyclohexyl)guanidine
CID 111190104

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-bromophenyl)-2-methylpropyl]-1-ethyl-3-(4-hydroxycyclohexyl)guanidine?
The IUPAC name of 2-[2-(4-bromophenyl)-2-methylpropyl]-1-ethyl-3-(4-hydroxycyclohexyl)guanidine (CID 111190612) is 2-[2-(4-bromophenyl)-2-methylpropyl]-1-ethyl-3-(4-hydroxycyclohexyl)guanidine.
What is the SMILES notation for 2-[2-(4-bromophenyl)-2-methylpropyl]-1-ethyl-3-(4-hydroxycyclohexyl)guanidine?
The canonical SMILES for 2-[2-(4-bromophenyl)-2-methylpropyl]-1-ethyl-3-(4-hydroxycyclohexyl)guanidine is CCN/C(=N\CC(C)(C)c1ccc(Br)cc1)NC1CCC(O)CC1.
What is the InChIKey of 2-[2-(4-bromophenyl)-2-methylpropyl]-1-ethyl-3-(4-hydroxycyclohexyl)guanidine?
The InChIKey is VNZUDNQFEFUQNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30BrN3O/c1-4-21-18(23-16-9-11-17(24)12-10-16)22-13-19(2,3)14-5-7-15(20)8-6-14/h5-8,16-17,24H,4,9-13H2,1-3H3,(H2,21,22,23).
What are the key properties of 2-[2-(4-bromophenyl)-2-methylpropyl]-1-ethyl-3-(4-hydroxycyclohexyl)guanidine?
2-[2-(4-bromophenyl)-2-methylpropyl]-1-ethyl-3-(4-hydroxycyclohexyl)guanidine has a molecular weight of 396.37 g/mol, XLogP of 3.59, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-bromophenyl)-2-methylpropyl]-1-ethyl-3-(4-hydroxycyclohexyl)guanidine is sourced from PubChem (CID 111190612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).