2-(cyclopentyloxymethyl)-5-fluorobenzenecarboximidamide

C13H17FN2O — CID 63290724

IUPAC2-(cyclopentyloxymethyl)-5-fluorobenzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(F)ccc1COC1CCCC1
InChIInChI=1S/C13H17FN2O/c14-10-6-5-9(12(7-10)13(15)16)8-17-11-3-1-2-4-11/h5-7,11H,1-4,8H2,(H3,15,16)
InChIKeyWQWVYSHPCGIBOG-UHFFFAOYSA-N
MW236.29 g/mol
LogP2.57
Rot. Bonds4

About 2-(cyclopentyloxymethyl)-5-fluorobenzenecarboximidamide

2-(cyclopentyloxymethyl)-5-fluorobenzenecarboximidamide (PubChem CID 63290724) has the molecular formula C13H17FN2O and a molecular weight of 236.29 g/mol. Its IUPAC name is 2-(cyclopentyloxymethyl)-5-fluorobenzenecarboximidamide.

Molecular Properties

Compound Name2-(cyclopentyloxymethyl)-5-fluorobenzenecarboximidamide
PubChem CID63290724
Molecular FormulaC13H17FN2O
Molecular Weight236.29 g/mol
Exact Mass236.13
IUPAC Name2-(cyclopentyloxymethyl)-5-fluorobenzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(F)ccc1COC1CCCC1
InChIInChI=1S/C13H17FN2O/c14-10-6-5-9(12(7-10)13(15)16)8-17-11-3-1-2-4-11/h5-7,11H,1-4,8H2,(H3,15,16)
InChIKeyWQWVYSHPCGIBOG-UHFFFAOYSA-N
XLogP2.57
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.29
LogP ≤ 52.57
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 2-(cyclopentyloxymethyl)-5-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

2-(cycloheptyloxymethyl)-5-fluorobenzenecarbothioamide
CID 63290600
2-(cycloheptyloxymethyl)benzenecarboximidamide
CID 61070841
3-(cyclohexyloxymethyl)-2-fluorobenzenecarboximidamide
CID 107118103
2-(butoxymethyl)-5-fluorobenzenecarboximidamide
CID 63291033
2-(cyclobutyloxymethyl)-5-fluoroaniline
CID 64768837
2-[(4-bromophenoxy)methyl]-5-fluorobenzenecarboximidamide
CID 63290597
2-[(2-bromophenyl)methoxymethyl]-5-fluorobenzenecarboximidamide
CID 82823576
5-fluoro-2-[[4-(hydroxymethyl)phenoxy]methyl]benzenecarboximidamide
CID 63291162
2-(3-ethoxypiperidin-1-yl)-5-fluorobenzenecarboximidamide
CID 63668655
2-[(3,4-dimethylphenoxy)methyl]-5-fluorobenzenecarboximidamide
CID 63290640
2-[(2-ethylphenoxy)methyl]-5-fluorobenzenecarboximidamide
CID 63291072
2-[(3,4-dimethylcyclohexyl)oxymethyl]-5-fluorobenzenecarbothioamide
CID 64744378

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopentyloxymethyl)-5-fluorobenzenecarboximidamide?
The IUPAC name of 2-(cyclopentyloxymethyl)-5-fluorobenzenecarboximidamide (CID 63290724) is 2-(cyclopentyloxymethyl)-5-fluorobenzenecarboximidamide.
What is the SMILES notation for 2-(cyclopentyloxymethyl)-5-fluorobenzenecarboximidamide?
The canonical SMILES for 2-(cyclopentyloxymethyl)-5-fluorobenzenecarboximidamide is [H]/N=C(\N)c1cc(F)ccc1COC1CCCC1.
What is the InChIKey of 2-(cyclopentyloxymethyl)-5-fluorobenzenecarboximidamide?
The InChIKey is WQWVYSHPCGIBOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O/c14-10-6-5-9(12(7-10)13(15)16)8-17-11-3-1-2-4-11/h5-7,11H,1-4,8H2,(H3,15,16).
What are the key properties of 2-(cyclopentyloxymethyl)-5-fluorobenzenecarboximidamide?
2-(cyclopentyloxymethyl)-5-fluorobenzenecarboximidamide has a molecular weight of 236.29 g/mol, XLogP of 2.57, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopentyloxymethyl)-5-fluorobenzenecarboximidamide is sourced from PubChem (CID 63290724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).