5-chloro-2-(4-methylcyclohexyl)oxybenzenecarboximidamide

C14H19ClN2O — CID 62494922

IUPAC5-chloro-2-(4-methylcyclohexyl)oxybenzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(Cl)ccc1OC1CCC(C)CC1
InChIInChI=1S/C14H19ClN2O/c1-9-2-5-11(6-3-9)18-13-7-4-10(15)8-12(13)14(16)17/h4,7-9,11H,2-3,5-6H2,1H3,(H3,16,17)
InChIKeyLEYFHRUUUWXFTH-UHFFFAOYSA-N
MW266.77 g/mol
LogP3.58
Rot. Bonds3

About 5-chloro-2-(4-methylcyclohexyl)oxybenzenecarboximidamide

5-chloro-2-(4-methylcyclohexyl)oxybenzenecarboximidamide (PubChem CID 62494922) has the molecular formula C14H19ClN2O and a molecular weight of 266.77 g/mol. Its IUPAC name is 5-chloro-2-(4-methylcyclohexyl)oxybenzenecarboximidamide.

Molecular Properties

Compound Name5-chloro-2-(4-methylcyclohexyl)oxybenzenecarboximidamide
PubChem CID62494922
Molecular FormulaC14H19ClN2O
Molecular Weight266.77 g/mol
Exact Mass266.12
IUPAC Name5-chloro-2-(4-methylcyclohexyl)oxybenzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(Cl)ccc1OC1CCC(C)CC1
InChIInChI=1S/C14H19ClN2O/c1-9-2-5-11(6-3-9)18-13-7-4-10(15)8-12(13)14(16)17/h4,7-9,11H,2-3,5-6H2,1H3,(H3,16,17)
InChIKeyLEYFHRUUUWXFTH-UHFFFAOYSA-N
XLogP3.58
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.77
LogP ≤ 53.58
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

5-methyl-2-(4-methylcyclohexyl)oxybenzenecarboximidamide
CID 114017325
2-(4-methylcyclohexyl)oxy-5-(trifluoromethyl)benzenecarboximidamide
CID 43153728
4-chloro-2-(3-methylcyclohexyl)oxybenzenecarboximidamide
CID 63093879
5-chloro-2-(4-methylcyclohexyl)oxybenzoic acid
CID 55138471
5-chloro-2-(2-ethylcyclohexyl)oxybenzenecarboximidamide
CID 62494620
5-chloro-2-(4-methylcyclohexyl)oxyaniline
CID 43094022
2-fluoro-6-(4-methylcyclohexyl)oxybenzenecarboximidamide
CID 64748711
4-chloro-2-(oxetan-3-yloxy)benzenecarboximidamide
CID 102606531
5-chloro-2-cyclohexyloxybenzenecarbothioamide
CID 62493544
(1S)-1-[5-chloro-2-(4-methylcyclohexyl)oxyphenyl]ethanamine
CID 78999288
methyl 5-chloro-2-cyclopropyloxybenzoate
CID 66846877
4-chloro-2-(chloromethyl)-1-(4-methylcyclohexyl)oxybenzene
CID 64748332

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(4-methylcyclohexyl)oxybenzenecarboximidamide?
The IUPAC name of 5-chloro-2-(4-methylcyclohexyl)oxybenzenecarboximidamide (CID 62494922) is 5-chloro-2-(4-methylcyclohexyl)oxybenzenecarboximidamide.
What is the SMILES notation for 5-chloro-2-(4-methylcyclohexyl)oxybenzenecarboximidamide?
The canonical SMILES for 5-chloro-2-(4-methylcyclohexyl)oxybenzenecarboximidamide is [H]/N=C(\N)c1cc(Cl)ccc1OC1CCC(C)CC1.
What is the InChIKey of 5-chloro-2-(4-methylcyclohexyl)oxybenzenecarboximidamide?
The InChIKey is LEYFHRUUUWXFTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O/c1-9-2-5-11(6-3-9)18-13-7-4-10(15)8-12(13)14(16)17/h4,7-9,11H,2-3,5-6H2,1H3,(H3,16,17).
What are the key properties of 5-chloro-2-(4-methylcyclohexyl)oxybenzenecarboximidamide?
5-chloro-2-(4-methylcyclohexyl)oxybenzenecarboximidamide has a molecular weight of 266.77 g/mol, XLogP of 3.58, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(4-methylcyclohexyl)oxybenzenecarboximidamide is sourced from PubChem (CID 62494922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).