1-amino-3-(2,6-difluoro-3-methylphenyl)-2-methylguanidine

C9H12F2N4 — CID 116510996

IUPAC1-amino-3-(2,6-difluoro-3-methylphenyl)-2-methylguanidine
SMILESC/N=C(\NN)Nc1c(F)ccc(C)c1F
InChIInChI=1S/C9H12F2N4/c1-5-3-4-6(10)8(7(5)11)14-9(13-2)15-12/h3-4H,12H2,1-2H3,(H2,13,14,15)
InChIKeyZUFDLDRDJPXEKF-UHFFFAOYSA-N
MW214.22 g/mol
LogP1.13
Rot. Bonds1

About 1-amino-3-(2,6-difluoro-3-methylphenyl)-2-methylguanidine

1-amino-3-(2,6-difluoro-3-methylphenyl)-2-methylguanidine (PubChem CID 116510996) has the molecular formula C9H12F2N4 and a molecular weight of 214.22 g/mol. Its IUPAC name is 1-amino-3-(2,6-difluoro-3-methylphenyl)-2-methylguanidine.

Molecular Properties

Compound Name1-amino-3-(2,6-difluoro-3-methylphenyl)-2-methylguanidine
PubChem CID116510996
Molecular FormulaC9H12F2N4
Molecular Weight214.22 g/mol
Exact Mass214.10
IUPAC Name1-amino-3-(2,6-difluoro-3-methylphenyl)-2-methylguanidine
SMILESC/N=C(\NN)Nc1c(F)ccc(C)c1F
InChIInChI=1S/C9H12F2N4/c1-5-3-4-6(10)8(7(5)11)14-9(13-2)15-12/h3-4H,12H2,1-2H3,(H2,13,14,15)
InChIKeyZUFDLDRDJPXEKF-UHFFFAOYSA-N
XLogP1.13
TPSA62.44 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 51.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-amino-2-methyl-3-(2,3,5,6-tetrafluorophenyl)guanidine
CID 107647404
1-amino-3-(2,6-dimethylphenyl)-2-methylguanidine
CID 116510703
1-amino-3-(2-chloro-6-methylphenyl)-2-methylguanidine
CID 116510963
1-amino-3-(5-bromo-2-fluorophenyl)-2-methylguanidine
CID 116510775
1-amino-3-(4-fluoro-3-methoxyphenyl)-2-methylguanidine
CID 114841239
N-(2,6-difluoro-3-methylphenyl)propanamide
CID 82820072
1-amino-3-(3-chloro-2-fluorophenyl)-2-methylguanidine
CID 116510720
3-(2,6-difluoro-3-methylanilino)-3-oxopropanoic acid
CID 82820377
N-(2,6-difluoro-3-methylphenyl)-1H-1,2,4-triazole-5-carboxamide
CID 82819667
1-amino-3-[3-(dimethylamino)-4-methylphenyl]-2-methylguanidine
CID 116510994
1-amino-2-propan-2-yl-3-(2,3,5,6-tetrafluorophenyl)guanidine
CID 107647406
1-amino-3-(2,6-difluorophenyl)-2-ethylguanidine
CID 116512729

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(2,6-difluoro-3-methylphenyl)-2-methylguanidine?
The IUPAC name of 1-amino-3-(2,6-difluoro-3-methylphenyl)-2-methylguanidine (CID 116510996) is 1-amino-3-(2,6-difluoro-3-methylphenyl)-2-methylguanidine.
What is the SMILES notation for 1-amino-3-(2,6-difluoro-3-methylphenyl)-2-methylguanidine?
The canonical SMILES for 1-amino-3-(2,6-difluoro-3-methylphenyl)-2-methylguanidine is C/N=C(\NN)Nc1c(F)ccc(C)c1F.
What is the InChIKey of 1-amino-3-(2,6-difluoro-3-methylphenyl)-2-methylguanidine?
The InChIKey is ZUFDLDRDJPXEKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F2N4/c1-5-3-4-6(10)8(7(5)11)14-9(13-2)15-12/h3-4H,12H2,1-2H3,(H2,13,14,15).
What are the key properties of 1-amino-3-(2,6-difluoro-3-methylphenyl)-2-methylguanidine?
1-amino-3-(2,6-difluoro-3-methylphenyl)-2-methylguanidine has a molecular weight of 214.22 g/mol, XLogP of 1.13, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(2,6-difluoro-3-methylphenyl)-2-methylguanidine is sourced from PubChem (CID 116510996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).