1-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-2,3-dimethylguanidine

C11H14ClF2N3O — CID 111498162

IUPAC1-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-2,3-dimethylguanidine
SMILESC/N=C(\NC)NCc1cc(Cl)ccc1OC(F)F
InChIInChI=1S/C11H14ClF2N3O/c1-15-11(16-2)17-6-7-5-8(12)3-4-9(7)18-10(13)14/h3-5,10H,6H2,1-2H3,(H2,15,16,17)
InChIKeyUHBMYANKHLTBRR-UHFFFAOYSA-N
MW277.70 g/mol
LogP2.24
Rot. Bonds4

About 1-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-2,3-dimethylguanidine

1-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-2,3-dimethylguanidine (PubChem CID 111498162) has the molecular formula C11H14ClF2N3O and a molecular weight of 277.70 g/mol. Its IUPAC name is 1-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-2,3-dimethylguanidine.

Molecular Properties

Compound Name1-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-2,3-dimethylguanidine
PubChem CID111498162
Molecular FormulaC11H14ClF2N3O
Molecular Weight277.70 g/mol
Exact Mass277.08
IUPAC Name1-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-2,3-dimethylguanidine
SMILESC/N=C(\NC)NCc1cc(Cl)ccc1OC(F)F
InChIInChI=1S/C11H14ClF2N3O/c1-15-11(16-2)17-6-7-5-8(12)3-4-9(7)18-10(13)14/h3-5,10H,6H2,1-2H3,(H2,15,16,17)
InChIKeyUHBMYANKHLTBRR-UHFFFAOYSA-N
XLogP2.24
TPSA45.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.70
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 1-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-2,3-dimethylguanidine 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

6-[3-(4-chlorophenoxy)propylimino]-2-(4-fluorophenyl)-2,5-dihydro-1H-1,3,5-triazin-4-amine;hydrochloride
CID 136033419
6-[3-(4-chlorophenoxy)propylimino]-2-[4-(trifluoromethyl)phenyl]-2,5-dihydro-1H-1,3,5-triazin-4-amine;hydrochloride
CID 136033421
N-(5-chloro-2-methoxybenzyl)-1H-tetrazol-5-amine
CID 6457276
N6-[3-(4-chlorophenoxy)propyl]-2-phenyl-1,2-dihydro-1,3,5-triazine-4,6-diamine
CID 136000588
N6-[3-(4-chlorophenoxy)propyl]-2-(4-fluorophenyl)-1,2-dihydro-1,3,5-triazine-4,6-diamine
CID 136033420
N6-[3-(4-chlorophenoxy)propyl]-2-[4-(trifluoromethyl)phenyl]-1,2-dihydro-1,3,5-triazine-4,6-diamine
CID 136033422
1-(5-chloro-2-methoxyphenyl)-N-methylmethanamine
CID 4723324
[(5-Chloro-2-methoxyphenyl)methyl](methyl)amine hydrochloride
CID 17331820
1-{5-chloro-2-[(4-fluorobenzyl)oxy]phenyl}-N-methylmethanamine
CID 834203
N-(5-chloro-2-methoxybenzyl)propan-1-amine
CID 4723325
N-(5-chloro-2-methoxybenzyl)prop-2-en-1-amine
CID 4723332
N-(5-chloro-2-methoxybenzyl)-N-[2-(dimethylamino)ethyl]amine
CID 4723350

Frequently Asked Questions

What is the IUPAC name of 1-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-2,3-dimethylguanidine?
The IUPAC name of 1-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-2,3-dimethylguanidine (CID 111498162) is 1-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-2,3-dimethylguanidine.
What is the SMILES notation for 1-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-2,3-dimethylguanidine?
The canonical SMILES for 1-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-2,3-dimethylguanidine is C/N=C(\NC)NCc1cc(Cl)ccc1OC(F)F.
What is the InChIKey of 1-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-2,3-dimethylguanidine?
The InChIKey is UHBMYANKHLTBRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClF2N3O/c1-15-11(16-2)17-6-7-5-8(12)3-4-9(7)18-10(13)14/h3-5,10H,6H2,1-2H3,(H2,15,16,17).
What are the key properties of 1-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-2,3-dimethylguanidine?
1-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-2,3-dimethylguanidine has a molecular weight of 277.70 g/mol, XLogP of 2.24, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-2,3-dimethylguanidine is sourced from PubChem (CID 111498162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).