1-amino-3-(3,4-difluorophenyl)-2-propylguanidine

C10H14F2N4 — CID 116512257

IUPAC1-amino-3-(3,4-difluorophenyl)-2-propylguanidine
SMILESCCC/N=C(\NN)Nc1ccc(F)c(F)c1
InChIInChI=1S/C10H14F2N4/c1-2-5-14-10(16-13)15-7-3-4-8(11)9(12)6-7/h3-4,6H,2,5,13H2,1H3,(H2,14,15,16)
InChIKeyJHJGBOPMIPEGSH-UHFFFAOYSA-N
MW228.25 g/mol
LogP1.61
Rot. Bonds3

About 1-amino-3-(3,4-difluorophenyl)-2-propylguanidine

1-amino-3-(3,4-difluorophenyl)-2-propylguanidine (PubChem CID 116512257) has the molecular formula C10H14F2N4 and a molecular weight of 228.25 g/mol. Its IUPAC name is 1-amino-3-(3,4-difluorophenyl)-2-propylguanidine.

Molecular Properties

Compound Name1-amino-3-(3,4-difluorophenyl)-2-propylguanidine
PubChem CID116512257
Molecular FormulaC10H14F2N4
Molecular Weight228.25 g/mol
Exact Mass228.12
IUPAC Name1-amino-3-(3,4-difluorophenyl)-2-propylguanidine
SMILESCCC/N=C(\NN)Nc1ccc(F)c(F)c1
InChIInChI=1S/C10H14F2N4/c1-2-5-14-10(16-13)15-7-3-4-8(11)9(12)6-7/h3-4,6H,2,5,13H2,1H3,(H2,14,15,16)
InChIKeyJHJGBOPMIPEGSH-UHFFFAOYSA-N
XLogP1.61
TPSA62.44 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 51.61
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-3-(3-fluoro-4-methoxyphenyl)-2-propylguanidine
CID 116513185
1-amino-3-(3,4-dimethylphenyl)-2-propylguanidine
CID 116512604
1-amino-3-(5-bromo-2-fluorophenyl)-2-propylguanidine
CID 116513335
1-amino-3-(2-fluoro-5-methoxyphenyl)-2-propylguanidine
CID 116515895
1-amino-3-(3-chloro-4-fluorophenyl)-2-(3-ethoxypropyl)guanidine
CID 116511292
1-amino-3-(3-fluoro-5-methoxyphenyl)-2-propylguanidine
CID 114262957
1-amino-3-(3-fluoro-4-methoxyphenyl)-2-(3-methoxypropyl)guanidine
CID 116513187
1-amino-3-[4-fluoro-3-(trifluoromethyl)phenyl]-2-(3-methoxypropyl)guanidine
CID 116513750
1-amino-2-butyl-3-(1,3-dihydro-2-benzofuran-5-yl)guanidine
CID 114262951
1-amino-2-(3-methoxypropyl)-3-(3,4,5-trifluorophenyl)guanidine
CID 116511165
1-amino-2-butyl-3-(4-methoxyphenyl)guanidine
CID 116511366
1-amino-3-(2,4-dimethylphenyl)-2-propylguanidine
CID 116512290

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(3,4-difluorophenyl)-2-propylguanidine?
The IUPAC name of 1-amino-3-(3,4-difluorophenyl)-2-propylguanidine (CID 116512257) is 1-amino-3-(3,4-difluorophenyl)-2-propylguanidine.
What is the SMILES notation for 1-amino-3-(3,4-difluorophenyl)-2-propylguanidine?
The canonical SMILES for 1-amino-3-(3,4-difluorophenyl)-2-propylguanidine is CCC/N=C(\NN)Nc1ccc(F)c(F)c1.
What is the InChIKey of 1-amino-3-(3,4-difluorophenyl)-2-propylguanidine?
The InChIKey is JHJGBOPMIPEGSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F2N4/c1-2-5-14-10(16-13)15-7-3-4-8(11)9(12)6-7/h3-4,6H,2,5,13H2,1H3,(H2,14,15,16).
What are the key properties of 1-amino-3-(3,4-difluorophenyl)-2-propylguanidine?
1-amino-3-(3,4-difluorophenyl)-2-propylguanidine has a molecular weight of 228.25 g/mol, XLogP of 1.61, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(3,4-difluorophenyl)-2-propylguanidine is sourced from PubChem (CID 116512257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).