1-amino-3-(3-fluoro-4-methoxyphenyl)-2-(3-methoxypropyl)guanidine

C12H19FN4O2 — CID 116513187

IUPAC1-amino-3-(3-fluoro-4-methoxyphenyl)-2-(3-methoxypropyl)guanidine
SMILESCOCCC/N=C(\NN)Nc1ccc(OC)c(F)c1
InChIInChI=1S/C12H19FN4O2/c1-18-7-3-6-15-12(17-14)16-9-4-5-11(19-2)10(13)8-9/h4-5,8H,3,6-7,14H2,1-2H3,(H2,15,16,17)
InChIKeyFMPHCEDIUXIELL-UHFFFAOYSA-N
MW270.31 g/mol
LogP1.10
Rot. Bonds6

About 1-amino-3-(3-fluoro-4-methoxyphenyl)-2-(3-methoxypropyl)guanidine

1-amino-3-(3-fluoro-4-methoxyphenyl)-2-(3-methoxypropyl)guanidine (PubChem CID 116513187) has the molecular formula C12H19FN4O2 and a molecular weight of 270.31 g/mol. Its IUPAC name is 1-amino-3-(3-fluoro-4-methoxyphenyl)-2-(3-methoxypropyl)guanidine.

Molecular Properties

Compound Name1-amino-3-(3-fluoro-4-methoxyphenyl)-2-(3-methoxypropyl)guanidine
PubChem CID116513187
Molecular FormulaC12H19FN4O2
Molecular Weight270.31 g/mol
Exact Mass270.15
IUPAC Name1-amino-3-(3-fluoro-4-methoxyphenyl)-2-(3-methoxypropyl)guanidine
SMILESCOCCC/N=C(\NN)Nc1ccc(OC)c(F)c1
InChIInChI=1S/C12H19FN4O2/c1-18-7-3-6-15-12(17-14)16-9-4-5-11(19-2)10(13)8-9/h4-5,8H,3,6-7,14H2,1-2H3,(H2,15,16,17)
InChIKeyFMPHCEDIUXIELL-UHFFFAOYSA-N
XLogP1.10
TPSA80.90 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.31
LogP ≤ 51.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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'}

Analyze 1-amino-3-(3-fluoro-4-methoxyphenyl)-2-(3-methoxypropyl)guanidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-amino-3-(3-fluoro-4-methoxyphenyl)-2-propylguanidine
CID 116513185
1-amino-2-(3-methoxypropyl)-3-(3,4,5-trifluorophenyl)guanidine
CID 116511165
1-amino-3-[4-fluoro-3-(trifluoromethyl)phenyl]-2-(3-methoxypropyl)guanidine
CID 116513750
1-amino-3-(3-bromo-4-chlorophenyl)-2-(3-methoxypropyl)guanidine
CID 116515767
1-amino-3-(3-chloro-4-fluorophenyl)-2-(3-ethoxypropyl)guanidine
CID 116511292
1-amino-2-(3-methoxypropyl)-3-pyrimidin-5-ylguanidine
CID 107590564
1-amino-3-(3-bromo-5-methylphenyl)-2-(3-methoxypropyl)guanidine
CID 107581236
1-amino-3-(3,4-difluorophenyl)-2-propylguanidine
CID 116512257
1-amino-2-butyl-3-(3,4,5-trimethoxyphenyl)guanidine
CID 116511680
1-amino-3-(3,4-dimethylphenyl)-2-(3-ethoxypropyl)guanidine
CID 116512602
1-amino-3-(2,5-dichlorophenyl)-2-(3-methoxypropyl)guanidine
CID 116511445
1-amino-3-(4-fluoro-3-methoxyphenyl)-2-methylguanidine
CID 114841239

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(3-fluoro-4-methoxyphenyl)-2-(3-methoxypropyl)guanidine?
The IUPAC name of 1-amino-3-(3-fluoro-4-methoxyphenyl)-2-(3-methoxypropyl)guanidine (CID 116513187) is 1-amino-3-(3-fluoro-4-methoxyphenyl)-2-(3-methoxypropyl)guanidine.
What is the SMILES notation for 1-amino-3-(3-fluoro-4-methoxyphenyl)-2-(3-methoxypropyl)guanidine?
The canonical SMILES for 1-amino-3-(3-fluoro-4-methoxyphenyl)-2-(3-methoxypropyl)guanidine is COCCC/N=C(\NN)Nc1ccc(OC)c(F)c1.
What is the InChIKey of 1-amino-3-(3-fluoro-4-methoxyphenyl)-2-(3-methoxypropyl)guanidine?
The InChIKey is FMPHCEDIUXIELL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19FN4O2/c1-18-7-3-6-15-12(17-14)16-9-4-5-11(19-2)10(13)8-9/h4-5,8H,3,6-7,14H2,1-2H3,(H2,15,16,17).
What are the key properties of 1-amino-3-(3-fluoro-4-methoxyphenyl)-2-(3-methoxypropyl)guanidine?
1-amino-3-(3-fluoro-4-methoxyphenyl)-2-(3-methoxypropyl)guanidine has a molecular weight of 270.31 g/mol, XLogP of 1.10, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(3-fluoro-4-methoxyphenyl)-2-(3-methoxypropyl)guanidine is sourced from PubChem (CID 116513187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).