2-[2-(3,4-dichlorophenyl)-2-methylpropyl]-1-(2-pyridin-2-ylethyl)guanidine

C18H22Cl2N4 — CID 111093363

IUPAC2-[2-(3,4-dichlorophenyl)-2-methylpropyl]-1-(2-pyridin-2-ylethyl)guanidine
SMILESCC(C)(C/N=C(\N)NCCc1ccccn1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C18H22Cl2N4/c1-18(2,13-6-7-15(19)16(20)11-13)12-24-17(21)23-10-8-14-5-3-4-9-22-14/h3-7,9,11H,8,10,12H2,1-2H3,(H3,21,23,24)
InChIKeyLNSSDQAUNLYRAY-UHFFFAOYSA-N
MW365.31 g/mol
LogP3.81
Rot. Bonds6

About 2-[2-(3,4-dichlorophenyl)-2-methylpropyl]-1-(2-pyridin-2-ylethyl)guanidine

2-[2-(3,4-dichlorophenyl)-2-methylpropyl]-1-(2-pyridin-2-ylethyl)guanidine (PubChem CID 111093363) has the molecular formula C18H22Cl2N4 and a molecular weight of 365.31 g/mol. Its IUPAC name is 2-[2-(3,4-dichlorophenyl)-2-methylpropyl]-1-(2-pyridin-2-ylethyl)guanidine.

Molecular Properties

Compound Name2-[2-(3,4-dichlorophenyl)-2-methylpropyl]-1-(2-pyridin-2-ylethyl)guanidine
PubChem CID111093363
Molecular FormulaC18H22Cl2N4
Molecular Weight365.31 g/mol
Exact Mass364.12
IUPAC Name2-[2-(3,4-dichlorophenyl)-2-methylpropyl]-1-(2-pyridin-2-ylethyl)guanidine
SMILESCC(C)(C/N=C(\N)NCCc1ccccn1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C18H22Cl2N4/c1-18(2,13-6-7-15(19)16(20)11-13)12-24-17(21)23-10-8-14-5-3-4-9-22-14/h3-7,9,11H,8,10,12H2,1-2H3,(H3,21,23,24)
InChIKeyLNSSDQAUNLYRAY-UHFFFAOYSA-N
XLogP3.81
TPSA63.30 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.31
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

2-[2-(4-chlorophenyl)-2-methylpropyl]-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111073574
2-[2-(4-fluorophenyl)-2-methylpropyl]-1-(2-pyridin-2-ylethyl)guanidine
CID 111101365
2-[2-(4-fluorophenyl)-2-methylpropyl]-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111101364
2-[2-(2-fluorophenyl)-2-methylpropyl]-1-(2-pyridin-2-ylethyl)guanidine
CID 111095362
1-ethyl-2-[2-methyl-2-(4-methylphenyl)propyl]-3-(2-pyridin-2-ylethyl)guanidine
CID 111192996
2-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111690437
1-ethyl-2-[2-methyl-2-(4-methylphenyl)propyl]-3-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111192995
2-(4,4-dimethylpentyl)-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111637947
2-(2-hydroxypropyl)-1-(2-pyridin-2-ylethyl)guanidine
CID 111025296
2-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111100736
2-[(2-methylphenyl)methyl]-1-(2-pyridin-2-ylethyl)guanidine
CID 111031430
1-(2-pyridin-2-ylethyl)-2-(3,3,3-trifluoropropyl)guanidine;hydroiodide
CID 111800785

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,4-dichlorophenyl)-2-methylpropyl]-1-(2-pyridin-2-ylethyl)guanidine?
The IUPAC name of 2-[2-(3,4-dichlorophenyl)-2-methylpropyl]-1-(2-pyridin-2-ylethyl)guanidine (CID 111093363) is 2-[2-(3,4-dichlorophenyl)-2-methylpropyl]-1-(2-pyridin-2-ylethyl)guanidine.
What is the SMILES notation for 2-[2-(3,4-dichlorophenyl)-2-methylpropyl]-1-(2-pyridin-2-ylethyl)guanidine?
The canonical SMILES for 2-[2-(3,4-dichlorophenyl)-2-methylpropyl]-1-(2-pyridin-2-ylethyl)guanidine is CC(C)(C/N=C(\N)NCCc1ccccn1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-[2-(3,4-dichlorophenyl)-2-methylpropyl]-1-(2-pyridin-2-ylethyl)guanidine?
The InChIKey is LNSSDQAUNLYRAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22Cl2N4/c1-18(2,13-6-7-15(19)16(20)11-13)12-24-17(21)23-10-8-14-5-3-4-9-22-14/h3-7,9,11H,8,10,12H2,1-2H3,(H3,21,23,24).
What are the key properties of 2-[2-(3,4-dichlorophenyl)-2-methylpropyl]-1-(2-pyridin-2-ylethyl)guanidine?
2-[2-(3,4-dichlorophenyl)-2-methylpropyl]-1-(2-pyridin-2-ylethyl)guanidine has a molecular weight of 365.31 g/mol, XLogP of 3.81, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,4-dichlorophenyl)-2-methylpropyl]-1-(2-pyridin-2-ylethyl)guanidine is sourced from PubChem (CID 111093363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).