2-[2-(3-chlorophenyl)ethyl]-1-ethyl-3-(2-pyridin-3-ylethyl)guanidine

C18H23ClN4 — CID 111358554

IUPAC2-[2-(3-chlorophenyl)ethyl]-1-ethyl-3-(2-pyridin-3-ylethyl)guanidine
SMILESCCN/C(=N\CCc1cccc(Cl)c1)NCCc1cccnc1
InChIInChI=1S/C18H23ClN4/c1-2-21-18(23-12-9-16-6-4-10-20-14-16)22-11-8-15-5-3-7-17(19)13-15/h3-7,10,13-14H,2,8-9,11-12H2,1H3,(H2,21,22,23)
InChIKeyFQRBUQVIICPCKZ-UHFFFAOYSA-N
MW330.86 g/mol
LogP3.08
Rot. Bonds7

About 2-[2-(3-chlorophenyl)ethyl]-1-ethyl-3-(2-pyridin-3-ylethyl)guanidine

2-[2-(3-chlorophenyl)ethyl]-1-ethyl-3-(2-pyridin-3-ylethyl)guanidine (PubChem CID 111358554) has the molecular formula C18H23ClN4 and a molecular weight of 330.86 g/mol. Its IUPAC name is 2-[2-(3-chlorophenyl)ethyl]-1-ethyl-3-(2-pyridin-3-ylethyl)guanidine.

Molecular Properties

Compound Name2-[2-(3-chlorophenyl)ethyl]-1-ethyl-3-(2-pyridin-3-ylethyl)guanidine
PubChem CID111358554
Molecular FormulaC18H23ClN4
Molecular Weight330.86 g/mol
Exact Mass330.16
IUPAC Name2-[2-(3-chlorophenyl)ethyl]-1-ethyl-3-(2-pyridin-3-ylethyl)guanidine
SMILESCCN/C(=N\CCc1cccc(Cl)c1)NCCc1cccnc1
InChIInChI=1S/C18H23ClN4/c1-2-21-18(23-12-9-16-6-4-10-20-14-16)22-11-8-15-5-3-7-17(19)13-15/h3-7,10,13-14H,2,8-9,11-12H2,1H3,(H2,21,22,23)
InChIKeyFQRBUQVIICPCKZ-UHFFFAOYSA-N
XLogP3.08
TPSA49.31 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.86
LogP ≤ 53.08
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-dichlorophenyl)methyl]-1-ethyl-3-(2-pyridin-3-ylethyl)guanidine
CID 111198392
1-ethyl-2-(3-phenylpropyl)-3-(2-pyridin-3-ylethyl)guanidine;hydroiodide
CID 111200249
1-ethyl-3-(2-phenoxyethyl)-2-(2-pyridin-3-ylethyl)guanidine
CID 111006609
1-ethyl-2-[3-(2-methylpropoxy)propyl]-3-(2-pyridin-3-ylethyl)guanidine
CID 111402203
2-(3-butoxypropyl)-1-ethyl-3-(2-pyridin-3-ylethyl)guanidine
CID 111240907
1-ethyl-2-[3-(2-methylpropoxy)propyl]-3-(2-pyridin-3-ylethyl)guanidine;hydroiodide
CID 111402202
2-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1-ethyl-3-(2-pyridin-3-ylethyl)guanidine;hydroiodide
CID 111280988
1-tert-butyl-2-[2-(3-chlorophenyl)ethyl]-3-ethylguanidine;hydroiodide
CID 110966543
1-ethyl-2-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-(2-pyridin-3-ylethyl)guanidine;hydroiodide
CID 111932863
1-[2-(3-chlorophenyl)ethyl]-3-ethyl-2-(pyridin-2-ylmethyl)guanidine
CID 110970323
1-[2-(3-chlorophenyl)ethyl]-2-[(6-chloro-3-pyridinyl)methyl]-3-ethylguanidine
CID 111357504
1-ethyl-2-(3-hydroxy-2-phenylpropyl)-3-(2-pyridin-3-ylethyl)guanidine;hydroiodide
CID 109411022

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-chlorophenyl)ethyl]-1-ethyl-3-(2-pyridin-3-ylethyl)guanidine?
The IUPAC name of 2-[2-(3-chlorophenyl)ethyl]-1-ethyl-3-(2-pyridin-3-ylethyl)guanidine (CID 111358554) is 2-[2-(3-chlorophenyl)ethyl]-1-ethyl-3-(2-pyridin-3-ylethyl)guanidine.
What is the SMILES notation for 2-[2-(3-chlorophenyl)ethyl]-1-ethyl-3-(2-pyridin-3-ylethyl)guanidine?
The canonical SMILES for 2-[2-(3-chlorophenyl)ethyl]-1-ethyl-3-(2-pyridin-3-ylethyl)guanidine is CCN/C(=N\CCc1cccc(Cl)c1)NCCc1cccnc1.
What is the InChIKey of 2-[2-(3-chlorophenyl)ethyl]-1-ethyl-3-(2-pyridin-3-ylethyl)guanidine?
The InChIKey is FQRBUQVIICPCKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN4/c1-2-21-18(23-12-9-16-6-4-10-20-14-16)22-11-8-15-5-3-7-17(19)13-15/h3-7,10,13-14H,2,8-9,11-12H2,1H3,(H2,21,22,23).
What are the key properties of 2-[2-(3-chlorophenyl)ethyl]-1-ethyl-3-(2-pyridin-3-ylethyl)guanidine?
2-[2-(3-chlorophenyl)ethyl]-1-ethyl-3-(2-pyridin-3-ylethyl)guanidine has a molecular weight of 330.86 g/mol, XLogP of 3.08, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-chlorophenyl)ethyl]-1-ethyl-3-(2-pyridin-3-ylethyl)guanidine is sourced from PubChem (CID 111358554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).