1-amino-3-(5-chloro-2-fluorophenyl)-2-(2-methoxyethyl)guanidine

C10H14ClFN4O — CID 116513201

IUPAC1-amino-3-(5-chloro-2-fluorophenyl)-2-(2-methoxyethyl)guanidine
SMILESCOCC/N=C(\NN)Nc1cc(Cl)ccc1F
InChIInChI=1S/C10H14ClFN4O/c1-17-5-4-14-10(16-13)15-9-6-7(11)2-3-8(9)12/h2-3,6H,4-5,13H2,1H3,(H2,14,15,16)
InChIKeyWZXXMRWUTFXLLC-UHFFFAOYSA-N
MW260.70 g/mol
LogP1.36
Rot. Bonds4

About 1-amino-3-(5-chloro-2-fluorophenyl)-2-(2-methoxyethyl)guanidine

1-amino-3-(5-chloro-2-fluorophenyl)-2-(2-methoxyethyl)guanidine (PubChem CID 116513201) has the molecular formula C10H14ClFN4O and a molecular weight of 260.70 g/mol. Its IUPAC name is 1-amino-3-(5-chloro-2-fluorophenyl)-2-(2-methoxyethyl)guanidine.

Molecular Properties

Compound Name1-amino-3-(5-chloro-2-fluorophenyl)-2-(2-methoxyethyl)guanidine
PubChem CID116513201
Molecular FormulaC10H14ClFN4O
Molecular Weight260.70 g/mol
Exact Mass260.08
IUPAC Name1-amino-3-(5-chloro-2-fluorophenyl)-2-(2-methoxyethyl)guanidine
SMILESCOCC/N=C(\NN)Nc1cc(Cl)ccc1F
InChIInChI=1S/C10H14ClFN4O/c1-17-5-4-14-10(16-13)15-9-6-7(11)2-3-8(9)12/h2-3,6H,4-5,13H2,1H3,(H2,14,15,16)
InChIKeyWZXXMRWUTFXLLC-UHFFFAOYSA-N
XLogP1.36
TPSA71.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.70
LogP ≤ 51.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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'}

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Related Compounds

1-amino-3-(4-chloro-2-fluorophenyl)-2-(2-methoxyethyl)guanidine
CID 116514806
1-amino-3-(2,5-dichlorophenyl)-2-(3-methoxypropyl)guanidine
CID 116511445
1-amino-3-(3-fluoro-2-iodophenyl)-2-(2-methoxyethyl)guanidine
CID 114261793
1-amino-3-(2-fluoro-5-methoxyphenyl)-2-propylguanidine
CID 116515895
1-amino-2-butyl-3-(2,5-dichlorophenyl)guanidine
CID 116511440
1-amino-3-(5-bromo-2-fluorophenyl)-2-propylguanidine
CID 116513335
1-amino-3-(2-ethoxyphenyl)-2-(2-methoxyethyl)guanidine
CID 116511618
1-amino-2-(3-methoxypropyl)-3-(3,4,5-trifluorophenyl)guanidine
CID 116511165
1-amino-3-(5-chloro-2-methoxyphenyl)-2-(2-methylpropyl)guanidine
CID 116512144
1-amino-3-[4-fluoro-3-(trifluoromethyl)phenyl]-2-(3-methoxypropyl)guanidine
CID 116513750
1-amino-3-(3-fluoro-4-methoxyphenyl)-2-(3-methoxypropyl)guanidine
CID 116513187
1-amino-3-[4-(difluoromethoxy)phenyl]-2-(2-methoxyethyl)guanidine
CID 116513092

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(5-chloro-2-fluorophenyl)-2-(2-methoxyethyl)guanidine?
The IUPAC name of 1-amino-3-(5-chloro-2-fluorophenyl)-2-(2-methoxyethyl)guanidine (CID 116513201) is 1-amino-3-(5-chloro-2-fluorophenyl)-2-(2-methoxyethyl)guanidine.
What is the SMILES notation for 1-amino-3-(5-chloro-2-fluorophenyl)-2-(2-methoxyethyl)guanidine?
The canonical SMILES for 1-amino-3-(5-chloro-2-fluorophenyl)-2-(2-methoxyethyl)guanidine is COCC/N=C(\NN)Nc1cc(Cl)ccc1F.
What is the InChIKey of 1-amino-3-(5-chloro-2-fluorophenyl)-2-(2-methoxyethyl)guanidine?
The InChIKey is WZXXMRWUTFXLLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClFN4O/c1-17-5-4-14-10(16-13)15-9-6-7(11)2-3-8(9)12/h2-3,6H,4-5,13H2,1H3,(H2,14,15,16).
What are the key properties of 1-amino-3-(5-chloro-2-fluorophenyl)-2-(2-methoxyethyl)guanidine?
1-amino-3-(5-chloro-2-fluorophenyl)-2-(2-methoxyethyl)guanidine has a molecular weight of 260.70 g/mol, XLogP of 1.36, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(5-chloro-2-fluorophenyl)-2-(2-methoxyethyl)guanidine is sourced from PubChem (CID 116513201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).