1-[2-(2,4-difluorophenyl)propyl]-2,3-dimethylguanidine

C12H17F2N3 — CID 86777925

IUPAC1-[2-(2,4-difluorophenyl)propyl]-2,3-dimethylguanidine
SMILESC/N=C(\NC)NCC(C)c1ccc(F)cc1F
InChIInChI=1S/C12H17F2N3/c1-8(7-17-12(15-2)16-3)10-5-4-9(13)6-11(10)14/h4-6,8H,7H2,1-3H3,(H2,15,16,17)
InChIKeyFDGALZXQORTWKG-UHFFFAOYSA-N
MW241.28 g/mol
LogP1.86
Rot. Bonds3

About 1-[2-(2,4-difluorophenyl)propyl]-2,3-dimethylguanidine

1-[2-(2,4-difluorophenyl)propyl]-2,3-dimethylguanidine (PubChem CID 86777925) has the molecular formula C12H17F2N3 and a molecular weight of 241.28 g/mol. Its IUPAC name is 1-[2-(2,4-difluorophenyl)propyl]-2,3-dimethylguanidine.

Molecular Properties

Compound Name1-[2-(2,4-difluorophenyl)propyl]-2,3-dimethylguanidine
PubChem CID86777925
Molecular FormulaC12H17F2N3
Molecular Weight241.28 g/mol
Exact Mass241.14
IUPAC Name1-[2-(2,4-difluorophenyl)propyl]-2,3-dimethylguanidine
SMILESC/N=C(\NC)NCC(C)c1ccc(F)cc1F
InChIInChI=1S/C12H17F2N3/c1-8(7-17-12(15-2)16-3)10-5-4-9(13)6-11(10)14/h4-6,8H,7H2,1-3H3,(H2,15,16,17)
InChIKeyFDGALZXQORTWKG-UHFFFAOYSA-N
XLogP1.86
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.28
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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-butyl-3-[2-(2,4-difluorophenyl)propyl]-2-methylguanidine
CID 111761323
1-[2-(2,4-difluorophenyl)propyl]-2-methyl-3-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)guanidine;hydroiodide
CID 111760108
1-[2-(2,4-difluorophenyl)propyl]-3-(2-hydroxyethyl)urea
CID 111474156
3-amino-N-[2-(2,4-difluorophenyl)propyl]butanamide;hydrochloride
CID 119780239
3-[2-(2,4-difluorophenyl)propyl]-1,2-dimethyl-1-pent-4-enylguanidine;hydroiodide
CID 109499525
1-[(2,5-difluorophenyl)methyl]-3-[2-(2-methoxyphenyl)propyl]-2-methylguanidine
CID 111901791
1-[2-(2,4-difluorophenyl)propyl]-3-ethyl-2-(pyridin-2-ylmethyl)guanidine;hydroiodide
CID 111758864
1-[2-(2,5-difluorophenyl)ethyl]-2,3-dimethylguanidine;hydroiodide
CID 111573047
1-[2-(2,4-difluorophenyl)propyl]-3-ethyl-2-(2-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111760372
1-[(2,5-difluorophenyl)methyl]-2-methyl-3-(2-phenylpropyl)guanidine;hydroiodide
CID 111785338
N-[(2R)-2-(2,4-difluorophenyl)propyl]-2-(2-hydroxyphenoxy)acetamide
CID 97237658
1-[(3-fluorophenyl)methyl]-3-[2-(2-methoxyphenyl)propyl]-2-methylguanidine;hydroiodide
CID 111876220

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,4-difluorophenyl)propyl]-2,3-dimethylguanidine?
The IUPAC name of 1-[2-(2,4-difluorophenyl)propyl]-2,3-dimethylguanidine (CID 86777925) is 1-[2-(2,4-difluorophenyl)propyl]-2,3-dimethylguanidine.
What is the SMILES notation for 1-[2-(2,4-difluorophenyl)propyl]-2,3-dimethylguanidine?
The canonical SMILES for 1-[2-(2,4-difluorophenyl)propyl]-2,3-dimethylguanidine is C/N=C(\NC)NCC(C)c1ccc(F)cc1F.
What is the InChIKey of 1-[2-(2,4-difluorophenyl)propyl]-2,3-dimethylguanidine?
The InChIKey is FDGALZXQORTWKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F2N3/c1-8(7-17-12(15-2)16-3)10-5-4-9(13)6-11(10)14/h4-6,8H,7H2,1-3H3,(H2,15,16,17).
What are the key properties of 1-[2-(2,4-difluorophenyl)propyl]-2,3-dimethylguanidine?
1-[2-(2,4-difluorophenyl)propyl]-2,3-dimethylguanidine has a molecular weight of 241.28 g/mol, XLogP of 1.86, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,4-difluorophenyl)propyl]-2,3-dimethylguanidine is sourced from PubChem (CID 86777925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).