3-[(2,3-dimethoxyphenyl)methyl]-1-[(3-fluorophenyl)methyl]-1,2-dimethylguanidine

C19H24FN3O2 — CID 111285649

IUPAC3-[(2,3-dimethoxyphenyl)methyl]-1-[(3-fluorophenyl)methyl]-1,2-dimethylguanidine
SMILESC/N=C(/NCc1cccc(OC)c1OC)N(C)Cc1cccc(F)c1
InChIInChI=1S/C19H24FN3O2/c1-21-19(23(2)13-14-7-5-9-16(20)11-14)22-12-15-8-6-10-17(24-3)18(15)25-4/h5-11H,12-13H2,1-4H3,(H,21,22)
InChIKeyOYHFZZRWYZKHFL-UHFFFAOYSA-N
MW345.42 g/mol
LogP3.05
Rot. Bonds6

About 3-[(2,3-dimethoxyphenyl)methyl]-1-[(3-fluorophenyl)methyl]-1,2-dimethylguanidine

3-[(2,3-dimethoxyphenyl)methyl]-1-[(3-fluorophenyl)methyl]-1,2-dimethylguanidine (PubChem CID 111285649) has the molecular formula C19H24FN3O2 and a molecular weight of 345.42 g/mol. Its IUPAC name is 3-[(2,3-dimethoxyphenyl)methyl]-1-[(3-fluorophenyl)methyl]-1,2-dimethylguanidine.

Molecular Properties

Compound Name3-[(2,3-dimethoxyphenyl)methyl]-1-[(3-fluorophenyl)methyl]-1,2-dimethylguanidine
PubChem CID111285649
Molecular FormulaC19H24FN3O2
Molecular Weight345.42 g/mol
Exact Mass345.19
IUPAC Name3-[(2,3-dimethoxyphenyl)methyl]-1-[(3-fluorophenyl)methyl]-1,2-dimethylguanidine
SMILESC/N=C(/NCc1cccc(OC)c1OC)N(C)Cc1cccc(F)c1
InChIInChI=1S/C19H24FN3O2/c1-21-19(23(2)13-14-7-5-9-16(20)11-14)22-12-15-8-6-10-17(24-3)18(15)25-4/h5-11H,12-13H2,1-4H3,(H,21,22)
InChIKeyOYHFZZRWYZKHFL-UHFFFAOYSA-N
XLogP3.05
TPSA46.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-[(3-fluorophenyl)methyl]-1,2-dimethyl-3-[(3,4,5-trimethoxyphenyl)methyl]guanidine
CID 111285351
1-[(2,4-dimethoxyphenyl)methyl]-3-[(3-fluorophenyl)methyl]-1,2-dimethylguanidine
CID 111296873
3-[(2,3-dimethoxyphenyl)methyl]-1,2-dimethyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]guanidine
CID 109422796
3-[2-(3-fluorophenyl)ethyl]-1-[(3-fluorophenyl)methyl]-1,2-dimethylguanidine
CID 111286469
1-[(2-methoxyphenyl)methyl]-1,2-dimethyl-3-[(3,4,5-trimethoxyphenyl)methyl]guanidine
CID 111281475
1-[(2-methoxyphenyl)methyl]-1,2-dimethyl-3-[(3,4,5-trimethoxyphenyl)methyl]guanidine;hydroiodide
CID 111281474
1-[(3-fluorophenyl)methyl]-1,2-dimethyl-3-[(3-nitrophenyl)methyl]guanidine
CID 111285901
1-[(3-fluorophenyl)methyl]-1,2-dimethyl-3-prop-2-enylguanidine
CID 111285531
1-[(2,4-dimethoxyphenyl)methyl]-3-[2-(3-fluorophenyl)ethyl]-1,2-dimethylguanidine
CID 111297477
1-[(3-fluorophenyl)methyl]-1,2-dimethyl-3-pentylguanidine
CID 111285287
3-[7-(dimethylamino)heptyl]-1-[(3-fluorophenyl)methyl]-1,2-dimethylguanidine;hydroiodide
CID 111285230
1-[(4-fluorophenyl)methyl]-3-[[3-(methoxymethyl)phenyl]methyl]-1,2-dimethylguanidine
CID 111306738

Frequently Asked Questions

What is the IUPAC name of 3-[(2,3-dimethoxyphenyl)methyl]-1-[(3-fluorophenyl)methyl]-1,2-dimethylguanidine?
The IUPAC name of 3-[(2,3-dimethoxyphenyl)methyl]-1-[(3-fluorophenyl)methyl]-1,2-dimethylguanidine (CID 111285649) is 3-[(2,3-dimethoxyphenyl)methyl]-1-[(3-fluorophenyl)methyl]-1,2-dimethylguanidine.
What is the SMILES notation for 3-[(2,3-dimethoxyphenyl)methyl]-1-[(3-fluorophenyl)methyl]-1,2-dimethylguanidine?
The canonical SMILES for 3-[(2,3-dimethoxyphenyl)methyl]-1-[(3-fluorophenyl)methyl]-1,2-dimethylguanidine is C/N=C(/NCc1cccc(OC)c1OC)N(C)Cc1cccc(F)c1.
What is the InChIKey of 3-[(2,3-dimethoxyphenyl)methyl]-1-[(3-fluorophenyl)methyl]-1,2-dimethylguanidine?
The InChIKey is OYHFZZRWYZKHFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN3O2/c1-21-19(23(2)13-14-7-5-9-16(20)11-14)22-12-15-8-6-10-17(24-3)18(15)25-4/h5-11H,12-13H2,1-4H3,(H,21,22).
What are the key properties of 3-[(2,3-dimethoxyphenyl)methyl]-1-[(3-fluorophenyl)methyl]-1,2-dimethylguanidine?
3-[(2,3-dimethoxyphenyl)methyl]-1-[(3-fluorophenyl)methyl]-1,2-dimethylguanidine has a molecular weight of 345.42 g/mol, XLogP of 3.05, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,3-dimethoxyphenyl)methyl]-1-[(3-fluorophenyl)methyl]-1,2-dimethylguanidine is sourced from PubChem (CID 111285649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).