4-(cyclohexylmethoxy)-3-fluorobenzenecarboximidamide

C14H19FN2O — CID 62383562

IUPAC4-(cyclohexylmethoxy)-3-fluorobenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(OCC2CCCCC2)c(F)c1
InChIInChI=1S/C14H19FN2O/c15-12-8-11(14(16)17)6-7-13(12)18-9-10-4-2-1-3-5-10/h6-8,10H,1-5,9H2,(H3,16,17)
InChIKeyNPOASFSYHDMLQC-UHFFFAOYSA-N
MW250.32 g/mol
LogP3.07
Rot. Bonds4

About 4-(cyclohexylmethoxy)-3-fluorobenzenecarboximidamide

4-(cyclohexylmethoxy)-3-fluorobenzenecarboximidamide (PubChem CID 62383562) has the molecular formula C14H19FN2O and a molecular weight of 250.32 g/mol. Its IUPAC name is 4-(cyclohexylmethoxy)-3-fluorobenzenecarboximidamide.

Molecular Properties

Compound Name4-(cyclohexylmethoxy)-3-fluorobenzenecarboximidamide
PubChem CID62383562
Molecular FormulaC14H19FN2O
Molecular Weight250.32 g/mol
Exact Mass250.15
IUPAC Name4-(cyclohexylmethoxy)-3-fluorobenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(OCC2CCCCC2)c(F)c1
InChIInChI=1S/C14H19FN2O/c15-12-8-11(14(16)17)6-7-13(12)18-9-10-4-2-1-3-5-10/h6-8,10H,1-5,9H2,(H3,16,17)
InChIKeyNPOASFSYHDMLQC-UHFFFAOYSA-N
XLogP3.07
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 53.07
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-(cyclopentylmethoxy)-3-fluorobenzenecarbothioamide
CID 66322191
4-(cyclopentylmethoxy)-3-fluoro-N'-hydroxybenzenecarboximidamide
CID 77124857
4-(cyclopentylmethoxymethyl)-3-fluorobenzenecarboximidamide
CID 66321784
4-(cyclopropylmethoxy)-3-fluorobenzenecarbothioamide
CID 43658073
4-(2-ethylcyclohexyl)oxy-3-fluorobenzenecarboximidamide
CID 43658441
4-[2-[cyclopropyl(methyl)amino]ethoxy]-3-fluorobenzenecarboximidamide
CID 102740175
4-(cyclohexylmethoxy)-3-(tetrazol-1-yl)benzenecarboximidamide;hydrochloride
CID 175112043
4-(2,3-dihydro-1-benzothiophen-2-ylmethoxy)-3-fluorobenzenecarboximidamide
CID 107666639
2-(cyclopentylmethoxy)-5-methylbenzenecarboximidamide
CID 107930853
2-(cyclopentylmethoxy)-5-(trifluoromethyl)benzenecarboximidamide
CID 66323058
3-fluoro-4-(2-methylpropoxy)benzenecarboximidamide;hydrochloride
CID 82253205
4-[(3,4-difluorophenyl)methoxy]-3-fluorobenzenecarboximidamide
CID 107666642

Frequently Asked Questions

What is the IUPAC name of 4-(cyclohexylmethoxy)-3-fluorobenzenecarboximidamide?
The IUPAC name of 4-(cyclohexylmethoxy)-3-fluorobenzenecarboximidamide (CID 62383562) is 4-(cyclohexylmethoxy)-3-fluorobenzenecarboximidamide.
What is the SMILES notation for 4-(cyclohexylmethoxy)-3-fluorobenzenecarboximidamide?
The canonical SMILES for 4-(cyclohexylmethoxy)-3-fluorobenzenecarboximidamide is [H]/N=C(\N)c1ccc(OCC2CCCCC2)c(F)c1.
What is the InChIKey of 4-(cyclohexylmethoxy)-3-fluorobenzenecarboximidamide?
The InChIKey is NPOASFSYHDMLQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O/c15-12-8-11(14(16)17)6-7-13(12)18-9-10-4-2-1-3-5-10/h6-8,10H,1-5,9H2,(H3,16,17).
What are the key properties of 4-(cyclohexylmethoxy)-3-fluorobenzenecarboximidamide?
4-(cyclohexylmethoxy)-3-fluorobenzenecarboximidamide has a molecular weight of 250.32 g/mol, XLogP of 3.07, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohexylmethoxy)-3-fluorobenzenecarboximidamide is sourced from PubChem (CID 62383562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).