4-(3-fluoropropoxy)-3-methoxybenzenecarboximidamide

C11H15FN2O2 — CID 81106848

IUPAC4-(3-fluoropropoxy)-3-methoxybenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(OCCCF)c(OC)c1
InChIInChI=1S/C11H15FN2O2/c1-15-10-7-8(11(13)14)3-4-9(10)16-6-2-5-12/h3-4,7H,2,5-6H2,1H3,(H3,13,14)
InChIKeyWCTJJTDIHYIAAR-UHFFFAOYSA-N
MW226.25 g/mol
LogP1.72
Rot. Bonds6

About 4-(3-fluoropropoxy)-3-methoxybenzenecarboximidamide

4-(3-fluoropropoxy)-3-methoxybenzenecarboximidamide (PubChem CID 81106848) has the molecular formula C11H15FN2O2 and a molecular weight of 226.25 g/mol. Its IUPAC name is 4-(3-fluoropropoxy)-3-methoxybenzenecarboximidamide.

Molecular Properties

Compound Name4-(3-fluoropropoxy)-3-methoxybenzenecarboximidamide
PubChem CID81106848
Molecular FormulaC11H15FN2O2
Molecular Weight226.25 g/mol
Exact Mass226.11
IUPAC Name4-(3-fluoropropoxy)-3-methoxybenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(OCCCF)c(OC)c1
InChIInChI=1S/C11H15FN2O2/c1-15-10-7-8(11(13)14)3-4-9(10)16-6-2-5-12/h3-4,7H,2,5-6H2,1H3,(H3,13,14)
InChIKeyWCTJJTDIHYIAAR-UHFFFAOYSA-N
XLogP1.72
TPSA68.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.25
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-methoxy-4-propoxybenzenecarboximidamide
CID 24709016
3-methoxy-4-(3-methylsulfonylpropoxy)benzenecarboximidamide
CID 55160801
3-methoxy-4-(3-methoxy-3-methylbutoxy)benzenecarboximidamide
CID 103033943
3-methoxy-4-(pyridin-4-ylmethoxy)benzenecarboximidamide;hydrochloride
CID 82253528
4-[(2,6-dimethoxyphenyl)methoxy]-3-methoxybenzenecarboximidamide;hydrochloride
CID 82253903
4-[(4-chlorophenyl)methoxy]-3-methoxybenzenecarboximidamide;hydrochloride
CID 82240843
4-(2-fluoroethoxy)-3-methoxybenzenecarbothioamide
CID 80693896
4-[2-(2-methoxyphenoxy)ethoxy]benzenecarboximidamide
CID 61300207
4-butoxy-3-methylbenzenecarboximidamide
CID 60929965
[4-(3-fluoropropoxy)-3-methoxyphenyl]methanamine
CID 81106628
4-[5-(4-carbamimidoylphenoxy)pentoxy]-N,N-diethyl-3-methoxybenzamide
CID 15340521
3-fluoro-4-[4-(hydroxymethyl)-2-methoxyphenoxy]benzenecarboximidamide
CID 107743283

Frequently Asked Questions

What is the IUPAC name of 4-(3-fluoropropoxy)-3-methoxybenzenecarboximidamide?
The IUPAC name of 4-(3-fluoropropoxy)-3-methoxybenzenecarboximidamide (CID 81106848) is 4-(3-fluoropropoxy)-3-methoxybenzenecarboximidamide.
What is the SMILES notation for 4-(3-fluoropropoxy)-3-methoxybenzenecarboximidamide?
The canonical SMILES for 4-(3-fluoropropoxy)-3-methoxybenzenecarboximidamide is [H]/N=C(\N)c1ccc(OCCCF)c(OC)c1.
What is the InChIKey of 4-(3-fluoropropoxy)-3-methoxybenzenecarboximidamide?
The InChIKey is WCTJJTDIHYIAAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2O2/c1-15-10-7-8(11(13)14)3-4-9(10)16-6-2-5-12/h3-4,7H,2,5-6H2,1H3,(H3,13,14).
What are the key properties of 4-(3-fluoropropoxy)-3-methoxybenzenecarboximidamide?
4-(3-fluoropropoxy)-3-methoxybenzenecarboximidamide has a molecular weight of 226.25 g/mol, XLogP of 1.72, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluoropropoxy)-3-methoxybenzenecarboximidamide is sourced from PubChem (CID 81106848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).