4-(cyclopentylmethoxymethyl)-3-fluorobenzenecarboximidamide

C14H19FN2O — CID 66321784

IUPAC4-(cyclopentylmethoxymethyl)-3-fluorobenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(COCC2CCCC2)c(F)c1
InChIInChI=1S/C14H19FN2O/c15-13-7-11(14(16)17)5-6-12(13)9-18-8-10-3-1-2-4-10/h5-7,10H,1-4,8-9H2,(H3,16,17)
InChIKeyJJHLDUXTQYZEOE-UHFFFAOYSA-N
MW250.32 g/mol
LogP2.82
Rot. Bonds5

About 4-(cyclopentylmethoxymethyl)-3-fluorobenzenecarboximidamide

4-(cyclopentylmethoxymethyl)-3-fluorobenzenecarboximidamide (PubChem CID 66321784) has the molecular formula C14H19FN2O and a molecular weight of 250.32 g/mol. Its IUPAC name is 4-(cyclopentylmethoxymethyl)-3-fluorobenzenecarboximidamide.

Molecular Properties

Compound Name4-(cyclopentylmethoxymethyl)-3-fluorobenzenecarboximidamide
PubChem CID66321784
Molecular FormulaC14H19FN2O
Molecular Weight250.32 g/mol
Exact Mass250.15
IUPAC Name4-(cyclopentylmethoxymethyl)-3-fluorobenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(COCC2CCCC2)c(F)c1
InChIInChI=1S/C14H19FN2O/c15-13-7-11(14(16)17)5-6-12(13)9-18-8-10-3-1-2-4-10/h5-7,10H,1-4,8-9H2,(H3,16,17)
InChIKeyJJHLDUXTQYZEOE-UHFFFAOYSA-N
XLogP2.82
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 52.82
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

4-(cyclopentylmethoxymethyl)-3-fluorobenzenecarbothioamide
CID 66321774
4-(cyclohexylmethoxymethyl)-3-fluorobenzoic acid
CID 63075026
4-(cyclohexylmethoxy)-3-fluorobenzenecarboximidamide
CID 62383562
3-fluoro-4-(oxan-4-ylmethoxymethyl)benzenecarbothioamide
CID 62384281
3-fluoro-4-(phenoxymethyl)benzenecarboximidamide;dihydrochloride
CID 175793778
3-(cyclopropylmethoxymethyl)-2-fluorobenzenecarboximidamide
CID 107118142
3-chloro-4-(2-cyclobutylethoxymethyl)benzenecarboximidamide
CID 106202147
3-chloro-4-[(2-fluorophenyl)methoxymethyl]benzenecarboximidamide
CID 102668187
3-[4-(cyclopentylmethoxymethyl)-3-fluorophenyl]prop-2-yn-1-amine
CID 66323089
3-fluoro-4-(2-pyridin-2-ylethoxymethyl)benzenecarboximidamide
CID 29006279
4-[4-(cyclohexylmethoxymethyl)-3-fluorophenyl]but-3-yn-1-ol
CID 62383213
4-[(3,4-dichlorophenoxy)methyl]-3-fluorobenzenecarboximidamide
CID 61000059

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopentylmethoxymethyl)-3-fluorobenzenecarboximidamide?
The IUPAC name of 4-(cyclopentylmethoxymethyl)-3-fluorobenzenecarboximidamide (CID 66321784) is 4-(cyclopentylmethoxymethyl)-3-fluorobenzenecarboximidamide.
What is the SMILES notation for 4-(cyclopentylmethoxymethyl)-3-fluorobenzenecarboximidamide?
The canonical SMILES for 4-(cyclopentylmethoxymethyl)-3-fluorobenzenecarboximidamide is [H]/N=C(\N)c1ccc(COCC2CCCC2)c(F)c1.
What is the InChIKey of 4-(cyclopentylmethoxymethyl)-3-fluorobenzenecarboximidamide?
The InChIKey is JJHLDUXTQYZEOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O/c15-13-7-11(14(16)17)5-6-12(13)9-18-8-10-3-1-2-4-10/h5-7,10H,1-4,8-9H2,(H3,16,17).
What are the key properties of 4-(cyclopentylmethoxymethyl)-3-fluorobenzenecarboximidamide?
4-(cyclopentylmethoxymethyl)-3-fluorobenzenecarboximidamide has a molecular weight of 250.32 g/mol, XLogP of 2.82, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopentylmethoxymethyl)-3-fluorobenzenecarboximidamide is sourced from PubChem (CID 66321784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).