2-(cyclohexylmethoxymethyl)-5-fluorobenzenecarboximidamide

C15H21FN2O — CID 55171754

IUPAC2-(cyclohexylmethoxymethyl)-5-fluorobenzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(F)ccc1COCC1CCCCC1
InChIInChI=1S/C15H21FN2O/c16-13-7-6-12(14(8-13)15(17)18)10-19-9-11-4-2-1-3-5-11/h6-8,11H,1-5,9-10H2,(H3,17,18)
InChIKeyBDGYQQDURCOJMC-UHFFFAOYSA-N
MW264.34 g/mol
LogP3.21
Rot. Bonds5

About 2-(cyclohexylmethoxymethyl)-5-fluorobenzenecarboximidamide

2-(cyclohexylmethoxymethyl)-5-fluorobenzenecarboximidamide (PubChem CID 55171754) has the molecular formula C15H21FN2O and a molecular weight of 264.34 g/mol. Its IUPAC name is 2-(cyclohexylmethoxymethyl)-5-fluorobenzenecarboximidamide.

Molecular Properties

Compound Name2-(cyclohexylmethoxymethyl)-5-fluorobenzenecarboximidamide
PubChem CID55171754
Molecular FormulaC15H21FN2O
Molecular Weight264.34 g/mol
Exact Mass264.16
IUPAC Name2-(cyclohexylmethoxymethyl)-5-fluorobenzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(F)ccc1COCC1CCCCC1
InChIInChI=1S/C15H21FN2O/c16-13-7-6-12(14(8-13)15(17)18)10-19-9-11-4-2-1-3-5-11/h6-8,11H,1-5,9-10H2,(H3,17,18)
InChIKeyBDGYQQDURCOJMC-UHFFFAOYSA-N
XLogP3.21
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.34
LogP ≤ 53.21
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-((Benzyloxy)methyl)benzene-1-carboximidamide hydrochloride
CID 47002447
3-Methoxy-1H-isoindol-1-imine
CID 12328983
(2-fluorophenyl)methyl (Z)-3-amino-3-(2-methylphenyl)prop-2-enimidate
CID 143470304
3-ethoxy-7-fluoro-3H-isoindol-1-amine
CID 151103971
2-(4,4-difluorocyclohexyl)-6-(ethoxymethyl)-N'-hydrazinylbenzenecarboximidamide;ethane
CID 170757040
ethane;2-(ethoxymethyl)-N'-hydrazinyl-6-[4-(trifluoromethyl)cyclohexyl]benzenecarboximidamide
CID 170757378
4-(Phenylmethoxymethyl)benzenecarboximidamide
CID 24689909
1H-2,3-benzoxazin-4-amine
CID 10313216
N'-[(3-fluorophenyl)methoxy]-2-methylbenzenecarboximidamide
CID 9116988
N'-[(3-fluorophenyl)methoxy]-2-methylbenzenecarboximidamide
CID 9754389
2-(2,2,2-Trifluoroethoxymethyl)benzenecarboximidamide
CID 24689821
4-(Ethoxymethyl)-3-fluorobenzenecarboximidamide
CID 24689913

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylmethoxymethyl)-5-fluorobenzenecarboximidamide?
The IUPAC name of 2-(cyclohexylmethoxymethyl)-5-fluorobenzenecarboximidamide (CID 55171754) is 2-(cyclohexylmethoxymethyl)-5-fluorobenzenecarboximidamide.
What is the SMILES notation for 2-(cyclohexylmethoxymethyl)-5-fluorobenzenecarboximidamide?
The canonical SMILES for 2-(cyclohexylmethoxymethyl)-5-fluorobenzenecarboximidamide is [H]/N=C(\N)c1cc(F)ccc1COCC1CCCCC1.
What is the InChIKey of 2-(cyclohexylmethoxymethyl)-5-fluorobenzenecarboximidamide?
The InChIKey is BDGYQQDURCOJMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O/c16-13-7-6-12(14(8-13)15(17)18)10-19-9-11-4-2-1-3-5-11/h6-8,11H,1-5,9-10H2,(H3,17,18).
What are the key properties of 2-(cyclohexylmethoxymethyl)-5-fluorobenzenecarboximidamide?
2-(cyclohexylmethoxymethyl)-5-fluorobenzenecarboximidamide has a molecular weight of 264.34 g/mol, XLogP of 3.21, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylmethoxymethyl)-5-fluorobenzenecarboximidamide is sourced from PubChem (CID 55171754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).