1-ethyl-3-[2-(2-fluorophenyl)-2-methylpropyl]-2-(pyridin-2-ylmethyl)guanidine

C19H25FN4 — CID 110969830

IUPAC1-ethyl-3-[2-(2-fluorophenyl)-2-methylpropyl]-2-(pyridin-2-ylmethyl)guanidine
SMILESCCN/C(=N\Cc1ccccn1)NCC(C)(C)c1ccccc1F
InChIInChI=1S/C19H25FN4/c1-4-21-18(23-13-15-9-7-8-12-22-15)24-14-19(2,3)16-10-5-6-11-17(16)20/h5-12H,4,13-14H2,1-3H3,(H2,21,23,24)
InChIKeyOBCRWWZUYRYMJY-UHFFFAOYSA-N
MW328.44 g/mol
LogP3.25
Rot. Bonds6

About 1-ethyl-3-[2-(2-fluorophenyl)-2-methylpropyl]-2-(pyridin-2-ylmethyl)guanidine

1-ethyl-3-[2-(2-fluorophenyl)-2-methylpropyl]-2-(pyridin-2-ylmethyl)guanidine (PubChem CID 110969830) has the molecular formula C19H25FN4 and a molecular weight of 328.44 g/mol. Its IUPAC name is 1-ethyl-3-[2-(2-fluorophenyl)-2-methylpropyl]-2-(pyridin-2-ylmethyl)guanidine.

Molecular Properties

Compound Name1-ethyl-3-[2-(2-fluorophenyl)-2-methylpropyl]-2-(pyridin-2-ylmethyl)guanidine
PubChem CID110969830
Molecular FormulaC19H25FN4
Molecular Weight328.44 g/mol
Exact Mass328.21
IUPAC Name1-ethyl-3-[2-(2-fluorophenyl)-2-methylpropyl]-2-(pyridin-2-ylmethyl)guanidine
SMILESCCN/C(=N\Cc1ccccn1)NCC(C)(C)c1ccccc1F
InChIInChI=1S/C19H25FN4/c1-4-21-18(23-13-15-9-7-8-12-22-15)24-14-19(2,3)16-10-5-6-11-17(16)20/h5-12H,4,13-14H2,1-3H3,(H2,21,23,24)
InChIKeyOBCRWWZUYRYMJY-UHFFFAOYSA-N
XLogP3.25
TPSA49.31 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.44
LogP ≤ 53.25
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-chlorophenyl)-2-methylpropyl]-3-ethyl-2-(pyridin-2-ylmethyl)guanidine;hydroiodide
CID 110970542
1-[2-(2-chloro-4-fluorophenyl)-2-methylpropyl]-3-ethyl-2-(pyridin-2-ylmethyl)guanidine
CID 111569141
1-ethyl-3-[2-(2-fluorophenyl)-2-methylpropyl]-2-[(2-methylpyrazol-3-yl)methyl]guanidine;hydroiodide
CID 111954198
1-ethyl-3-[2-(4-methoxyphenyl)-2-methylpropyl]-2-(pyridin-2-ylmethyl)guanidine;hydroiodide
CID 110969157
1-[2-(2-fluorophenyl)-2-methylpropyl]-2-methyl-3-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111191889
1-ethyl-3-propyl-2-(pyridin-2-ylmethyl)guanidine
CID 110969500
N-tert-butyl-2-[[N-ethyl-N'-(pyridin-2-ylmethyl)carbamimidoyl]amino]acetamide;hydroiodide
CID 110969575
1-(2,2-dimethyl-4-methylsulfonylbutyl)-3-ethyl-2-(pyridin-2-ylmethyl)guanidine
CID 111634798
1-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-3-ethyl-2-(pyridin-2-ylmethyl)guanidine
CID 111660895
1-ethyl-2-[(2-fluorophenyl)methyl]-3-(2-pyridin-2-ylethyl)guanidine
CID 111193324
2-[(2,6-difluorophenyl)methyl]-1-ethyl-3-(2-pyridin-2-ylethyl)guanidine
CID 75496465
1-ethyl-3-(2-ethylbutyl)-2-(pyridin-2-ylmethyl)guanidine
CID 111547627

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[2-(2-fluorophenyl)-2-methylpropyl]-2-(pyridin-2-ylmethyl)guanidine?
The IUPAC name of 1-ethyl-3-[2-(2-fluorophenyl)-2-methylpropyl]-2-(pyridin-2-ylmethyl)guanidine (CID 110969830) is 1-ethyl-3-[2-(2-fluorophenyl)-2-methylpropyl]-2-(pyridin-2-ylmethyl)guanidine.
What is the SMILES notation for 1-ethyl-3-[2-(2-fluorophenyl)-2-methylpropyl]-2-(pyridin-2-ylmethyl)guanidine?
The canonical SMILES for 1-ethyl-3-[2-(2-fluorophenyl)-2-methylpropyl]-2-(pyridin-2-ylmethyl)guanidine is CCN/C(=N\Cc1ccccn1)NCC(C)(C)c1ccccc1F.
What is the InChIKey of 1-ethyl-3-[2-(2-fluorophenyl)-2-methylpropyl]-2-(pyridin-2-ylmethyl)guanidine?
The InChIKey is OBCRWWZUYRYMJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25FN4/c1-4-21-18(23-13-15-9-7-8-12-22-15)24-14-19(2,3)16-10-5-6-11-17(16)20/h5-12H,4,13-14H2,1-3H3,(H2,21,23,24).
What are the key properties of 1-ethyl-3-[2-(2-fluorophenyl)-2-methylpropyl]-2-(pyridin-2-ylmethyl)guanidine?
1-ethyl-3-[2-(2-fluorophenyl)-2-methylpropyl]-2-(pyridin-2-ylmethyl)guanidine has a molecular weight of 328.44 g/mol, XLogP of 3.25, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[2-(2-fluorophenyl)-2-methylpropyl]-2-(pyridin-2-ylmethyl)guanidine is sourced from PubChem (CID 110969830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).