1-amino-3-(3-chloro-2-fluorophenyl)-2-methylguanidine

C8H10ClFN4 — CID 116510720

IUPAC1-amino-3-(3-chloro-2-fluorophenyl)-2-methylguanidine
SMILESC/N=C(\NN)Nc1cccc(Cl)c1F
InChIInChI=1S/C8H10ClFN4/c1-12-8(14-11)13-6-4-2-3-5(9)7(6)10/h2-4H,11H2,1H3,(H2,12,13,14)
InChIKeyHEFUOBKDRTWTAH-UHFFFAOYSA-N
MW216.65 g/mol
LogP1.34
Rot. Bonds1

About 1-amino-3-(3-chloro-2-fluorophenyl)-2-methylguanidine

1-amino-3-(3-chloro-2-fluorophenyl)-2-methylguanidine (PubChem CID 116510720) has the molecular formula C8H10ClFN4 and a molecular weight of 216.65 g/mol. Its IUPAC name is 1-amino-3-(3-chloro-2-fluorophenyl)-2-methylguanidine.

Molecular Properties

Compound Name1-amino-3-(3-chloro-2-fluorophenyl)-2-methylguanidine
PubChem CID116510720
Molecular FormulaC8H10ClFN4
Molecular Weight216.65 g/mol
Exact Mass216.06
IUPAC Name1-amino-3-(3-chloro-2-fluorophenyl)-2-methylguanidine
SMILESC/N=C(\NN)Nc1cccc(Cl)c1F
InChIInChI=1S/C8H10ClFN4/c1-12-8(14-11)13-6-4-2-3-5(9)7(6)10/h2-4H,11H2,1H3,(H2,12,13,14)
InChIKeyHEFUOBKDRTWTAH-UHFFFAOYSA-N
XLogP1.34
TPSA62.44 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.65
LogP ≤ 51.34
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-(2-chloro-6-methylphenyl)-2-methylguanidine
CID 116510963
(3-chloro-2-fluorophenyl)urea
CID 28969166
1-(3-chloro-2-fluorophenyl)-3-(3-fluoro-2-methylphenyl)thiourea
CID 53364922
1-amino-3-(2,3-difluorophenyl)-2-propan-2-ylguanidine
CID 116513741
1-amino-3-(3-chloro-2-methylphenyl)-2-propan-2-ylguanidine
CID 116511708
1-(3-chloro-2-fluorophenyl)-3-(3,5-dimethylphenyl)thiourea
CID 53365078
3-amino-N-(3-chloro-2-fluorophenyl)propanamide
CID 28969296
1-amino-3-(2,6-dimethylphenyl)-2-methylguanidine
CID 116510703
1-amino-3-(5-bromo-2-fluorophenyl)-2-methylguanidine
CID 116510775
N-(3-chloro-2-fluorophenyl)-2-hydrazinyl-5-methylbenzamide
CID 62512161
1-(3-chloro-2-fluorophenyl)-3-(3-methylphenyl)thiourea
CID 53365077
1-amino-2-methyl-3-(2,3,5,6-tetrafluorophenyl)guanidine
CID 107647404

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(3-chloro-2-fluorophenyl)-2-methylguanidine?
The IUPAC name of 1-amino-3-(3-chloro-2-fluorophenyl)-2-methylguanidine (CID 116510720) is 1-amino-3-(3-chloro-2-fluorophenyl)-2-methylguanidine.
What is the SMILES notation for 1-amino-3-(3-chloro-2-fluorophenyl)-2-methylguanidine?
The canonical SMILES for 1-amino-3-(3-chloro-2-fluorophenyl)-2-methylguanidine is C/N=C(\NN)Nc1cccc(Cl)c1F.
What is the InChIKey of 1-amino-3-(3-chloro-2-fluorophenyl)-2-methylguanidine?
The InChIKey is HEFUOBKDRTWTAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClFN4/c1-12-8(14-11)13-6-4-2-3-5(9)7(6)10/h2-4H,11H2,1H3,(H2,12,13,14).
What are the key properties of 1-amino-3-(3-chloro-2-fluorophenyl)-2-methylguanidine?
1-amino-3-(3-chloro-2-fluorophenyl)-2-methylguanidine has a molecular weight of 216.65 g/mol, XLogP of 1.34, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(3-chloro-2-fluorophenyl)-2-methylguanidine is sourced from PubChem (CID 116510720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).