2-(4-fluoro-3-methoxyphenyl)guanidine

C8H10FN3O — CID 114840791

IUPAC2-(4-fluoro-3-methoxyphenyl)guanidine
SMILESCOc1cc(N=C(N)N)ccc1F
InChIInChI=1S/C8H10FN3O/c1-13-7-4-5(12-8(10)11)2-3-6(7)9/h2-4H,1H3,(H4,10,11,12)
InChIKeyMRGLERUILWLVOP-UHFFFAOYSA-N
MW183.19 g/mol
LogP0.74
Rot. Bonds2

About 2-(4-fluoro-3-methoxyphenyl)guanidine

2-(4-fluoro-3-methoxyphenyl)guanidine (PubChem CID 114840791) has the molecular formula C8H10FN3O and a molecular weight of 183.19 g/mol. Its IUPAC name is 2-(4-fluoro-3-methoxyphenyl)guanidine.

Molecular Properties

Compound Name2-(4-fluoro-3-methoxyphenyl)guanidine
PubChem CID114840791
Molecular FormulaC8H10FN3O
Molecular Weight183.19 g/mol
Exact Mass183.08
IUPAC Name2-(4-fluoro-3-methoxyphenyl)guanidine
SMILESCOc1cc(N=C(N)N)ccc1F
InChIInChI=1S/C8H10FN3O/c1-13-7-4-5(12-8(10)11)2-3-6(7)9/h2-4H,1H3,(H4,10,11,12)
InChIKeyMRGLERUILWLVOP-UHFFFAOYSA-N
XLogP0.74
TPSA73.63 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.19
LogP ≤ 50.74
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'}

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Related Compounds

2-(4-methoxy-3-methylphenyl)guanidine
CID 62380394
methyl 4-(diaminomethylideneamino)-2-methoxybenzoate;hydrochloride
CID 117064548
2-(5-fluoro-2-methoxyphenyl)guanidine
CID 82490728
2-[(4-fluoro-3-methoxyphenyl)methylideneamino]guanidine
CID 168592573
N'-(4-chloro-3-methoxyphenyl)ethanimidamide
CID 107623277
N'-(3,4-dimethoxyphenyl)benzenecarboximidamide
CID 24834403
1-fluoro-4-iodo-2-methoxybenzene
CID 26598241
2-[4-[5-[4-(diaminomethylideneamino)-2-fluorophenyl]furan-2-yl]-3-fluorophenyl]guanidine
CID 156528935
1-fluoro-4-isocyano-2-methoxybenzene
CID 123183250
(4-fluoro-3-methoxyphenyl)boronic acid
CID 44558185
(3-fluoro-4-methoxyphenyl)-(3,4,5-trimethoxyphenyl)diazene
CID 118484582
(3Z)-3-amino-N-(4-fluoro-3-methoxyphenyl)-3-hydroxyiminopropanamide
CID 114840498

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-3-methoxyphenyl)guanidine?
The IUPAC name of 2-(4-fluoro-3-methoxyphenyl)guanidine (CID 114840791) is 2-(4-fluoro-3-methoxyphenyl)guanidine.
What is the SMILES notation for 2-(4-fluoro-3-methoxyphenyl)guanidine?
The canonical SMILES for 2-(4-fluoro-3-methoxyphenyl)guanidine is COc1cc(N=C(N)N)ccc1F.
What is the InChIKey of 2-(4-fluoro-3-methoxyphenyl)guanidine?
The InChIKey is MRGLERUILWLVOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10FN3O/c1-13-7-4-5(12-8(10)11)2-3-6(7)9/h2-4H,1H3,(H4,10,11,12).
What are the key properties of 2-(4-fluoro-3-methoxyphenyl)guanidine?
2-(4-fluoro-3-methoxyphenyl)guanidine has a molecular weight of 183.19 g/mol, XLogP of 0.74, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoro-3-methoxyphenyl)guanidine is sourced from PubChem (CID 114840791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).