1-[2-(2,4-difluorophenyl)ethyl]-3-ethyl-2-(2-pyridin-2-ylethyl)guanidine

C18H22F2N4 — CID 111782038

IUPAC1-[2-(2,4-difluorophenyl)ethyl]-3-ethyl-2-(2-pyridin-2-ylethyl)guanidine
SMILESCCN/C(=N\CCc1ccccn1)NCCc1ccc(F)cc1F
InChIInChI=1S/C18H22F2N4/c1-2-21-18(24-12-9-16-5-3-4-10-22-16)23-11-8-14-6-7-15(19)13-17(14)20/h3-7,10,13H,2,8-9,11-12H2,1H3,(H2,21,23,24)
InChIKeyKYRLHGRKYJXQSM-UHFFFAOYSA-N
MW332.40 g/mol
LogP2.70
Rot. Bonds7

About 1-[2-(2,4-difluorophenyl)ethyl]-3-ethyl-2-(2-pyridin-2-ylethyl)guanidine

1-[2-(2,4-difluorophenyl)ethyl]-3-ethyl-2-(2-pyridin-2-ylethyl)guanidine (PubChem CID 111782038) has the molecular formula C18H22F2N4 and a molecular weight of 332.40 g/mol. Its IUPAC name is 1-[2-(2,4-difluorophenyl)ethyl]-3-ethyl-2-(2-pyridin-2-ylethyl)guanidine.

Molecular Properties

Compound Name1-[2-(2,4-difluorophenyl)ethyl]-3-ethyl-2-(2-pyridin-2-ylethyl)guanidine
PubChem CID111782038
Molecular FormulaC18H22F2N4
Molecular Weight332.40 g/mol
Exact Mass332.18
IUPAC Name1-[2-(2,4-difluorophenyl)ethyl]-3-ethyl-2-(2-pyridin-2-ylethyl)guanidine
SMILESCCN/C(=N\CCc1ccccn1)NCCc1ccc(F)cc1F
InChIInChI=1S/C18H22F2N4/c1-2-21-18(24-12-9-16-5-3-4-10-22-16)23-11-8-14-6-7-15(19)13-17(14)20/h3-7,10,13H,2,8-9,11-12H2,1H3,(H2,21,23,24)
InChIKeyKYRLHGRKYJXQSM-UHFFFAOYSA-N
XLogP2.70
TPSA49.31 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 52.70
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-ethyl-3-[2-(2-fluorophenyl)ethyl]-2-(2-pyridin-2-ylethyl)guanidine
CID 111194200
1-ethyl-2,3-bis(2-pyridin-2-ylethyl)guanidine
CID 111191182
1-ethyl-3-[2-(6-fluoro-1H-indol-3-yl)ethyl]-2-(2-pyridin-2-ylethyl)guanidine
CID 111191536
1-[2-(2,4-difluorophenyl)ethyl]-2-methyl-3-(2-pyridin-2-ylethyl)guanidine
CID 111782064
1-[2-(2,5-difluorophenyl)ethyl]-3-ethyl-2-(pyridin-2-ylmethyl)guanidine
CID 111965389
1-[2-(2,4-dimethylphenyl)ethyl]-3-ethyl-2-(2-pyridin-2-ylethyl)guanidine
CID 111194704
1,3-diethyl-2-(2-pyridin-2-ylethyl)guanidine
CID 86777068
2-[3-(4-bromo-2-fluorophenyl)propyl]-1-ethyl-3-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111604024
1-[2-(3,4-difluorophenoxy)ethyl]-3-ethyl-2-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111835802
N-[2-[[N-ethyl-N'-(2-pyridin-2-ylethyl)carbamimidoyl]amino]ethyl]-2-methylpropanamide
CID 111191360
1,2,3-tris(2-pyridin-2-ylethyl)guanidine
CID 102500512
1-ethyl-3-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]-2-(2-pyridin-2-ylethyl)guanidine
CID 111512027

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,4-difluorophenyl)ethyl]-3-ethyl-2-(2-pyridin-2-ylethyl)guanidine?
The IUPAC name of 1-[2-(2,4-difluorophenyl)ethyl]-3-ethyl-2-(2-pyridin-2-ylethyl)guanidine (CID 111782038) is 1-[2-(2,4-difluorophenyl)ethyl]-3-ethyl-2-(2-pyridin-2-ylethyl)guanidine.
What is the SMILES notation for 1-[2-(2,4-difluorophenyl)ethyl]-3-ethyl-2-(2-pyridin-2-ylethyl)guanidine?
The canonical SMILES for 1-[2-(2,4-difluorophenyl)ethyl]-3-ethyl-2-(2-pyridin-2-ylethyl)guanidine is CCN/C(=N\CCc1ccccn1)NCCc1ccc(F)cc1F.
What is the InChIKey of 1-[2-(2,4-difluorophenyl)ethyl]-3-ethyl-2-(2-pyridin-2-ylethyl)guanidine?
The InChIKey is KYRLHGRKYJXQSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22F2N4/c1-2-21-18(24-12-9-16-5-3-4-10-22-16)23-11-8-14-6-7-15(19)13-17(14)20/h3-7,10,13H,2,8-9,11-12H2,1H3,(H2,21,23,24).
What are the key properties of 1-[2-(2,4-difluorophenyl)ethyl]-3-ethyl-2-(2-pyridin-2-ylethyl)guanidine?
1-[2-(2,4-difluorophenyl)ethyl]-3-ethyl-2-(2-pyridin-2-ylethyl)guanidine has a molecular weight of 332.40 g/mol, XLogP of 2.70, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,4-difluorophenyl)ethyl]-3-ethyl-2-(2-pyridin-2-ylethyl)guanidine is sourced from PubChem (CID 111782038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).