3-(cyclopropylmethoxymethyl)-2-fluorobenzenecarboximidamide

C12H15FN2O — CID 107118142

IUPAC3-(cyclopropylmethoxymethyl)-2-fluorobenzenecarboximidamide
SMILES[H]/N=C(\N)c1cccc(COCC2CC2)c1F
InChIInChI=1S/C12H15FN2O/c13-11-9(7-16-6-8-4-5-8)2-1-3-10(11)12(14)15/h1-3,8H,4-7H2,(H3,14,15)
InChIKeyOBTMFBSVFYLIDV-UHFFFAOYSA-N
MW222.26 g/mol
LogP2.04
Rot. Bonds5

About 3-(cyclopropylmethoxymethyl)-2-fluorobenzenecarboximidamide

3-(cyclopropylmethoxymethyl)-2-fluorobenzenecarboximidamide (PubChem CID 107118142) has the molecular formula C12H15FN2O and a molecular weight of 222.26 g/mol. Its IUPAC name is 3-(cyclopropylmethoxymethyl)-2-fluorobenzenecarboximidamide.

Molecular Properties

Compound Name3-(cyclopropylmethoxymethyl)-2-fluorobenzenecarboximidamide
PubChem CID107118142
Molecular FormulaC12H15FN2O
Molecular Weight222.26 g/mol
Exact Mass222.12
IUPAC Name3-(cyclopropylmethoxymethyl)-2-fluorobenzenecarboximidamide
SMILES[H]/N=C(\N)c1cccc(COCC2CC2)c1F
InChIInChI=1S/C12H15FN2O/c13-11-9(7-16-6-8-4-5-8)2-1-3-10(11)12(14)15/h1-3,8H,4-7H2,(H3,14,15)
InChIKeyOBTMFBSVFYLIDV-UHFFFAOYSA-N
XLogP2.04
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.26
LogP ≤ 52.04
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'}

Analyze 3-(cyclopropylmethoxymethyl)-2-fluorobenzenecarboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[[2-(cyclopropylmethoxy)ethyl-methylamino]methyl]-2-fluorobenzenecarboximidamide
CID 107117984
3-(cyclohexyloxymethyl)-2-fluorobenzenecarboximidamide
CID 107118103
2-fluoro-3-(2-methoxyethoxymethyl)benzenecarboximidamide
CID 107118124
2-fluoro-3-(heptoxymethyl)benzenecarboximidamide
CID 107118150
2-fluoro-3-[(2-methylcyclohexyl)oxymethyl]benzenecarboximidamide
CID 107118111
3-[(3-ethylcyclohexyl)oxymethyl]-2-fluorobenzenecarboximidamide
CID 107118212
3-[(2-ethylcyclohexyl)oxymethyl]-2-fluorobenzenecarboximidamide
CID 107118117
3-[(2-ethoxyphenoxy)methyl]-2-fluorobenzenecarboximidamide
CID 107118134
2-fluoro-3-[[4-(hydroxymethyl)piperidin-1-yl]methyl]benzenecarboximidamide
CID 107117747
4-(cyclopentylmethoxymethyl)-3-fluorobenzenecarboximidamide
CID 66321784
3-[(2-bromophenoxy)methyl]-2-fluorobenzenecarboximidamide
CID 107118102
2-fluoro-3-[[4-(hydroxymethyl)phenoxy]methyl]benzenecarboximidamide
CID 107118184

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylmethoxymethyl)-2-fluorobenzenecarboximidamide?
The IUPAC name of 3-(cyclopropylmethoxymethyl)-2-fluorobenzenecarboximidamide (CID 107118142) is 3-(cyclopropylmethoxymethyl)-2-fluorobenzenecarboximidamide.
What is the SMILES notation for 3-(cyclopropylmethoxymethyl)-2-fluorobenzenecarboximidamide?
The canonical SMILES for 3-(cyclopropylmethoxymethyl)-2-fluorobenzenecarboximidamide is [H]/N=C(\N)c1cccc(COCC2CC2)c1F.
What is the InChIKey of 3-(cyclopropylmethoxymethyl)-2-fluorobenzenecarboximidamide?
The InChIKey is OBTMFBSVFYLIDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2O/c13-11-9(7-16-6-8-4-5-8)2-1-3-10(11)12(14)15/h1-3,8H,4-7H2,(H3,14,15).
What are the key properties of 3-(cyclopropylmethoxymethyl)-2-fluorobenzenecarboximidamide?
3-(cyclopropylmethoxymethyl)-2-fluorobenzenecarboximidamide has a molecular weight of 222.26 g/mol, XLogP of 2.04, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylmethoxymethyl)-2-fluorobenzenecarboximidamide is sourced from PubChem (CID 107118142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).