1-[[2-(difluoromethoxy)phenyl]methyl]-3-[(2-methoxyphenyl)methyl]-2-methylguanidine

C18H21F2N3O2 — CID 111216151

IUPAC1-[[2-(difluoromethoxy)phenyl]methyl]-3-[(2-methoxyphenyl)methyl]-2-methylguanidine
SMILESC/N=C(\NCc1ccccc1OC)NCc1ccccc1OC(F)F
InChIInChI=1S/C18H21F2N3O2/c1-21-18(22-11-13-7-3-5-9-15(13)24-2)23-12-14-8-4-6-10-16(14)25-17(19)20/h3-10,17H,11-12H2,1-2H3,(H2,21,22,23)
InChIKeyIQRNEEDIWFWUQU-UHFFFAOYSA-N
MW349.38 g/mol
LogP3.16
Rot. Bonds7

About 1-[[2-(difluoromethoxy)phenyl]methyl]-3-[(2-methoxyphenyl)methyl]-2-methylguanidine

1-[[2-(difluoromethoxy)phenyl]methyl]-3-[(2-methoxyphenyl)methyl]-2-methylguanidine (PubChem CID 111216151) has the molecular formula C18H21F2N3O2 and a molecular weight of 349.38 g/mol. Its IUPAC name is 1-[[2-(difluoromethoxy)phenyl]methyl]-3-[(2-methoxyphenyl)methyl]-2-methylguanidine.

Molecular Properties

Compound Name1-[[2-(difluoromethoxy)phenyl]methyl]-3-[(2-methoxyphenyl)methyl]-2-methylguanidine
PubChem CID111216151
Molecular FormulaC18H21F2N3O2
Molecular Weight349.38 g/mol
Exact Mass349.16
IUPAC Name1-[[2-(difluoromethoxy)phenyl]methyl]-3-[(2-methoxyphenyl)methyl]-2-methylguanidine
SMILESC/N=C(\NCc1ccccc1OC)NCc1ccccc1OC(F)F
InChIInChI=1S/C18H21F2N3O2/c1-21-18(22-11-13-7-3-5-9-15(13)24-2)23-12-14-8-4-6-10-16(14)25-17(19)20/h3-10,17H,11-12H2,1-2H3,(H2,21,22,23)
InChIKeyIQRNEEDIWFWUQU-UHFFFAOYSA-N
XLogP3.16
TPSA54.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.38
LogP ≤ 53.16
H-Bond Donors ≤ 52
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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Frequently Asked Questions

What is the IUPAC name of 1-[[2-(difluoromethoxy)phenyl]methyl]-3-[(2-methoxyphenyl)methyl]-2-methylguanidine?
The IUPAC name of 1-[[2-(difluoromethoxy)phenyl]methyl]-3-[(2-methoxyphenyl)methyl]-2-methylguanidine (CID 111216151) is 1-[[2-(difluoromethoxy)phenyl]methyl]-3-[(2-methoxyphenyl)methyl]-2-methylguanidine.
What is the SMILES notation for 1-[[2-(difluoromethoxy)phenyl]methyl]-3-[(2-methoxyphenyl)methyl]-2-methylguanidine?
The canonical SMILES for 1-[[2-(difluoromethoxy)phenyl]methyl]-3-[(2-methoxyphenyl)methyl]-2-methylguanidine is C/N=C(\NCc1ccccc1OC)NCc1ccccc1OC(F)F.
What is the InChIKey of 1-[[2-(difluoromethoxy)phenyl]methyl]-3-[(2-methoxyphenyl)methyl]-2-methylguanidine?
The InChIKey is IQRNEEDIWFWUQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F2N3O2/c1-21-18(22-11-13-7-3-5-9-15(13)24-2)23-12-14-8-4-6-10-16(14)25-17(19)20/h3-10,17H,11-12H2,1-2H3,(H2,21,22,23).
What are the key properties of 1-[[2-(difluoromethoxy)phenyl]methyl]-3-[(2-methoxyphenyl)methyl]-2-methylguanidine?
1-[[2-(difluoromethoxy)phenyl]methyl]-3-[(2-methoxyphenyl)methyl]-2-methylguanidine has a molecular weight of 349.38 g/mol, XLogP of 3.16, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(difluoromethoxy)phenyl]methyl]-3-[(2-methoxyphenyl)methyl]-2-methylguanidine is sourced from PubChem (CID 111216151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).