1-[2-(2,6-dichlorophenyl)propyl]-3-ethyl-2-(pyridin-2-ylmethyl)guanidine

C18H22Cl2N4 — CID 110970221

IUPAC1-[2-(2,6-dichlorophenyl)propyl]-3-ethyl-2-(pyridin-2-ylmethyl)guanidine
SMILESCCN/C(=N\Cc1ccccn1)NCC(C)c1c(Cl)cccc1Cl
InChIInChI=1S/C18H22Cl2N4/c1-3-21-18(24-12-14-7-4-5-10-22-14)23-11-13(2)17-15(19)8-6-9-16(17)20/h4-10,13H,3,11-12H2,1-2H3,(H2,21,23,24)
InChIKeyIYCNMVMQJKUVBY-UHFFFAOYSA-N
MW365.31 g/mol
LogP4.25
Rot. Bonds6

About 1-[2-(2,6-dichlorophenyl)propyl]-3-ethyl-2-(pyridin-2-ylmethyl)guanidine

1-[2-(2,6-dichlorophenyl)propyl]-3-ethyl-2-(pyridin-2-ylmethyl)guanidine (PubChem CID 110970221) has the molecular formula C18H22Cl2N4 and a molecular weight of 365.31 g/mol. Its IUPAC name is 1-[2-(2,6-dichlorophenyl)propyl]-3-ethyl-2-(pyridin-2-ylmethyl)guanidine.

Molecular Properties

Compound Name1-[2-(2,6-dichlorophenyl)propyl]-3-ethyl-2-(pyridin-2-ylmethyl)guanidine
PubChem CID110970221
Molecular FormulaC18H22Cl2N4
Molecular Weight365.31 g/mol
Exact Mass364.12
IUPAC Name1-[2-(2,6-dichlorophenyl)propyl]-3-ethyl-2-(pyridin-2-ylmethyl)guanidine
SMILESCCN/C(=N\Cc1ccccn1)NCC(C)c1c(Cl)cccc1Cl
InChIInChI=1S/C18H22Cl2N4/c1-3-21-18(24-12-14-7-4-5-10-22-14)23-11-13(2)17-15(19)8-6-9-16(17)20/h4-10,13H,3,11-12H2,1-2H3,(H2,21,23,24)
InChIKeyIYCNMVMQJKUVBY-UHFFFAOYSA-N
XLogP4.25
TPSA49.31 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 ≤ 54.25
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

1-[2-(2-chlorophenoxy)propyl]-3-ethyl-2-(pyridin-2-ylmethyl)guanidine;hydroiodide
CID 111493925
1-ethyl-3-(2-ethylbutyl)-2-(pyridin-2-ylmethyl)guanidine
CID 111547627
1-ethyl-3-propan-2-yl-2-(pyridin-2-ylmethyl)guanidine
CID 111123683
1-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-ethyl-2-(pyridin-2-ylmethyl)guanidine;hydroiodide
CID 110969673
1-[2-(2,4-difluorophenyl)propyl]-3-ethyl-2-(pyridin-2-ylmethyl)guanidine;hydroiodide
CID 111758864
1-ethyl-3-propyl-2-(pyridin-2-ylmethyl)guanidine
CID 110969500
1-ethyl-3-[2-(4-methoxyphenoxy)propyl]-2-(pyridin-2-ylmethyl)guanidine
CID 111547547
1-[2-(2-chlorophenyl)-2-methylpropyl]-3-ethyl-2-(pyridin-2-ylmethyl)guanidine;hydroiodide
CID 110970542
1-ethyl-3-[2-(2-methylphenoxy)propyl]-2-(pyridin-2-ylmethyl)guanidine
CID 111493980
1-[2-(3-chlorophenyl)ethyl]-3-ethyl-2-(pyridin-2-ylmethyl)guanidine
CID 110970323
1-[2-(2-bromophenoxy)propyl]-3-ethyl-2-(pyridin-2-ylmethyl)guanidine
CID 111968069
1-[2-(dimethylamino)-3-phenylpropyl]-3-ethyl-2-(pyridin-2-ylmethyl)guanidine
CID 110969992

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,6-dichlorophenyl)propyl]-3-ethyl-2-(pyridin-2-ylmethyl)guanidine?
The IUPAC name of 1-[2-(2,6-dichlorophenyl)propyl]-3-ethyl-2-(pyridin-2-ylmethyl)guanidine (CID 110970221) is 1-[2-(2,6-dichlorophenyl)propyl]-3-ethyl-2-(pyridin-2-ylmethyl)guanidine.
What is the SMILES notation for 1-[2-(2,6-dichlorophenyl)propyl]-3-ethyl-2-(pyridin-2-ylmethyl)guanidine?
The canonical SMILES for 1-[2-(2,6-dichlorophenyl)propyl]-3-ethyl-2-(pyridin-2-ylmethyl)guanidine is CCN/C(=N\Cc1ccccn1)NCC(C)c1c(Cl)cccc1Cl.
What is the InChIKey of 1-[2-(2,6-dichlorophenyl)propyl]-3-ethyl-2-(pyridin-2-ylmethyl)guanidine?
The InChIKey is IYCNMVMQJKUVBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22Cl2N4/c1-3-21-18(24-12-14-7-4-5-10-22-14)23-11-13(2)17-15(19)8-6-9-16(17)20/h4-10,13H,3,11-12H2,1-2H3,(H2,21,23,24).
What are the key properties of 1-[2-(2,6-dichlorophenyl)propyl]-3-ethyl-2-(pyridin-2-ylmethyl)guanidine?
1-[2-(2,6-dichlorophenyl)propyl]-3-ethyl-2-(pyridin-2-ylmethyl)guanidine has a molecular weight of 365.31 g/mol, XLogP of 4.25, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,6-dichlorophenyl)propyl]-3-ethyl-2-(pyridin-2-ylmethyl)guanidine is sourced from PubChem (CID 110970221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).