2-[2-(3-chlorophenyl)-2-methylpropyl]-1-(2-methylprop-2-enyl)guanidine

C15H22ClN3 — CID 111088048

IUPAC2-[2-(3-chlorophenyl)-2-methylpropyl]-1-(2-methylprop-2-enyl)guanidine
SMILESC=C(C)CN/C(N)=N/CC(C)(C)c1cccc(Cl)c1
InChIInChI=1S/C15H22ClN3/c1-11(2)9-18-14(17)19-10-15(3,4)12-6-5-7-13(16)8-12/h5-8H,1,9-10H2,2-4H3,(H3,17,18,19)
InChIKeyIFIIYOVYFQMFBT-UHFFFAOYSA-N
MW279.82 g/mol
LogP3.10
Rot. Bonds5

About 2-[2-(3-chlorophenyl)-2-methylpropyl]-1-(2-methylprop-2-enyl)guanidine

2-[2-(3-chlorophenyl)-2-methylpropyl]-1-(2-methylprop-2-enyl)guanidine (PubChem CID 111088048) has the molecular formula C15H22ClN3 and a molecular weight of 279.82 g/mol. Its IUPAC name is 2-[2-(3-chlorophenyl)-2-methylpropyl]-1-(2-methylprop-2-enyl)guanidine.

Molecular Properties

Compound Name2-[2-(3-chlorophenyl)-2-methylpropyl]-1-(2-methylprop-2-enyl)guanidine
PubChem CID111088048
Molecular FormulaC15H22ClN3
Molecular Weight279.82 g/mol
Exact Mass279.15
IUPAC Name2-[2-(3-chlorophenyl)-2-methylpropyl]-1-(2-methylprop-2-enyl)guanidine
SMILESC=C(C)CN/C(N)=N/CC(C)(C)c1cccc(Cl)c1
InChIInChI=1S/C15H22ClN3/c1-11(2)9-18-14(17)19-10-15(3,4)12-6-5-7-13(16)8-12/h5-8H,1,9-10H2,2-4H3,(H3,17,18,19)
InChIKeyIFIIYOVYFQMFBT-UHFFFAOYSA-N
XLogP3.10
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.82
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-[2-(3-chlorophenyl)-2-methylpropyl]-1-(2-methylprop-2-enyl)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

2-[2-(2-chlorophenyl)-2-methylpropyl]-1-(2-methylprop-2-enyl)guanidine;hydroiodide
CID 111100275
2-[2-(2-chloro-4-fluorophenyl)-2-methylpropyl]-1-(2-methylprop-2-enyl)guanidine
CID 111569227
2-[2-(3-chlorophenyl)-2-methylpropyl]-1-(3,4-dihydro-2H-chromen-4-yl)guanidine
CID 111599802
N'-[2-(3-chlorophenyl)-2-methylpropyl]morpholine-4-carboximidamide
CID 111088020
4-acetyl-N'-[2-(3-chlorophenyl)-2-methylpropyl]-N-ethylpiperazine-1-carboximidamide
CID 110962793
2-[2-(2,6-dichlorophenyl)-2-hydroxyethyl]-1-(2-methylprop-2-enyl)guanidine
CID 137062636
2-[2-(furan-2-yl)-2-hydroxypropyl]-1-(2-methylprop-2-enyl)guanidine;hydroiodide
CID 111672065
2-[2-methyl-2-(1-phenylethylamino)propyl]-1-(2-methylprop-2-enyl)guanidine;hydroiodide
CID 111803964
2-[(3-chloro-4-fluorophenyl)methyl]-1-(2-methylprop-2-enyl)guanidine
CID 111045724
2-[(3-chloro-4-fluorophenyl)methyl]-1-(2-methylprop-2-enyl)guanidine;hydroiodide
CID 111045723
1-(cyclobutylmethyl)-2-[2-(3-fluorophenyl)-2-methylpropyl]guanidine;hydroiodide
CID 111816383
1-(2-methylprop-2-enyl)-2-(3-phenylprop-2-enyl)guanidine
CID 111566861

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-chlorophenyl)-2-methylpropyl]-1-(2-methylprop-2-enyl)guanidine?
The IUPAC name of 2-[2-(3-chlorophenyl)-2-methylpropyl]-1-(2-methylprop-2-enyl)guanidine (CID 111088048) is 2-[2-(3-chlorophenyl)-2-methylpropyl]-1-(2-methylprop-2-enyl)guanidine.
What is the SMILES notation for 2-[2-(3-chlorophenyl)-2-methylpropyl]-1-(2-methylprop-2-enyl)guanidine?
The canonical SMILES for 2-[2-(3-chlorophenyl)-2-methylpropyl]-1-(2-methylprop-2-enyl)guanidine is C=C(C)CN/C(N)=N/CC(C)(C)c1cccc(Cl)c1.
What is the InChIKey of 2-[2-(3-chlorophenyl)-2-methylpropyl]-1-(2-methylprop-2-enyl)guanidine?
The InChIKey is IFIIYOVYFQMFBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3/c1-11(2)9-18-14(17)19-10-15(3,4)12-6-5-7-13(16)8-12/h5-8H,1,9-10H2,2-4H3,(H3,17,18,19).
What are the key properties of 2-[2-(3-chlorophenyl)-2-methylpropyl]-1-(2-methylprop-2-enyl)guanidine?
2-[2-(3-chlorophenyl)-2-methylpropyl]-1-(2-methylprop-2-enyl)guanidine has a molecular weight of 279.82 g/mol, XLogP of 3.10, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-chlorophenyl)-2-methylpropyl]-1-(2-methylprop-2-enyl)guanidine is sourced from PubChem (CID 111088048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).