3-(2-fluoro-5-methylphenoxy)propanimidamide

C10H13FN2O — CID 64853456

IUPAC3-(2-fluoro-5-methylphenoxy)propanimidamide
SMILES[H]/N=C(\N)CCOc1cc(C)ccc1F
InChIInChI=1S/C10H13FN2O/c1-7-2-3-8(11)9(6-7)14-5-4-10(12)13/h2-3,6H,4-5H2,1H3,(H3,12,13)
InChIKeyQTJWNHFVAVFCTJ-UHFFFAOYSA-N
MW196.23 g/mol
LogP1.84
Rot. Bonds4

About 3-(2-fluoro-5-methylphenoxy)propanimidamide

3-(2-fluoro-5-methylphenoxy)propanimidamide (PubChem CID 64853456) has the molecular formula C10H13FN2O and a molecular weight of 196.23 g/mol. Its IUPAC name is 3-(2-fluoro-5-methylphenoxy)propanimidamide.

Molecular Properties

Compound Name3-(2-fluoro-5-methylphenoxy)propanimidamide
PubChem CID64853456
Molecular FormulaC10H13FN2O
Molecular Weight196.23 g/mol
Exact Mass196.10
IUPAC Name3-(2-fluoro-5-methylphenoxy)propanimidamide
SMILES[H]/N=C(\N)CCOc1cc(C)ccc1F
InChIInChI=1S/C10H13FN2O/c1-7-2-3-8(11)9(6-7)14-5-4-10(12)13/h2-3,6H,4-5H2,1H3,(H3,12,13)
InChIKeyQTJWNHFVAVFCTJ-UHFFFAOYSA-N
XLogP1.84
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.23
LogP ≤ 51.84
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

3-(2,5-difluorophenoxy)propanimidamide
CID 63269341
4-(2-methoxy-4-methylphenoxy)butanimidamide
CID 24691030
ethane;1-fluoro-4-methyl-2-propoxybenzene
CID 162531945
3-(2-fluoro-5-methylphenoxy)-1-(4-fluorophenyl)propan-1-one
CID 64853662
3-[(2-fluoro-5-methylphenoxy)methyl]benzenecarboximidamide
CID 64853652
6-(2-fluoro-5-methylphenoxy)pyridine-3-carboximidamide
CID 64855796
ethyl 6-(2-fluoro-5-methylphenoxy)hexanoate
CID 64855551
1-fluoro-4-methyl-2-(3-methylbutoxy)benzene
CID 64854132
3-(2-methoxyphenoxy)propanimidamide
CID 24698290
5-(2-fluoro-5-methylphenoxy)pentan-2-amine
CID 64853835
5-(5-methyl-2-nitrophenoxy)pentanimidamide
CID 54966230
2-(2-fluoro-5-methylphenoxy)-5-methylbenzenecarboximidamide
CID 107930844

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoro-5-methylphenoxy)propanimidamide?
The IUPAC name of 3-(2-fluoro-5-methylphenoxy)propanimidamide (CID 64853456) is 3-(2-fluoro-5-methylphenoxy)propanimidamide.
What is the SMILES notation for 3-(2-fluoro-5-methylphenoxy)propanimidamide?
The canonical SMILES for 3-(2-fluoro-5-methylphenoxy)propanimidamide is [H]/N=C(\N)CCOc1cc(C)ccc1F.
What is the InChIKey of 3-(2-fluoro-5-methylphenoxy)propanimidamide?
The InChIKey is QTJWNHFVAVFCTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN2O/c1-7-2-3-8(11)9(6-7)14-5-4-10(12)13/h2-3,6H,4-5H2,1H3,(H3,12,13).
What are the key properties of 3-(2-fluoro-5-methylphenoxy)propanimidamide?
3-(2-fluoro-5-methylphenoxy)propanimidamide has a molecular weight of 196.23 g/mol, XLogP of 1.84, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoro-5-methylphenoxy)propanimidamide is sourced from PubChem (CID 64853456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).