2-chloro-4-cycloheptyloxybenzenecarboximidamide

C14H19ClN2O — CID 55154723

IUPAC2-chloro-4-cycloheptyloxybenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(OC2CCCCCC2)cc1Cl
InChIInChI=1S/C14H19ClN2O/c15-13-9-11(7-8-12(13)14(16)17)18-10-5-3-1-2-4-6-10/h7-10H,1-6H2,(H3,16,17)
InChIKeyQYSXEFHMKMIWNN-UHFFFAOYSA-N
MW266.77 g/mol
LogP3.73
Rot. Bonds3

About 2-chloro-4-cycloheptyloxybenzenecarboximidamide

2-chloro-4-cycloheptyloxybenzenecarboximidamide (PubChem CID 55154723) has the molecular formula C14H19ClN2O and a molecular weight of 266.77 g/mol. Its IUPAC name is 2-chloro-4-cycloheptyloxybenzenecarboximidamide.

Molecular Properties

Compound Name2-chloro-4-cycloheptyloxybenzenecarboximidamide
PubChem CID55154723
Molecular FormulaC14H19ClN2O
Molecular Weight266.77 g/mol
Exact Mass266.12
IUPAC Name2-chloro-4-cycloheptyloxybenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(OC2CCCCCC2)cc1Cl
InChIInChI=1S/C14H19ClN2O/c15-13-9-11(7-8-12(13)14(16)17)18-10-5-3-1-2-4-6-10/h7-10H,1-6H2,(H3,16,17)
InChIKeyQYSXEFHMKMIWNN-UHFFFAOYSA-N
XLogP3.73
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 ≤ 53.73
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

2-chloro-4-(3-methylcyclohexyl)oxybenzenecarboximidamide
CID 62948386
2-chloro-4-(1-methylpiperidin-4-yl)oxybenzenecarboximidamide
CID 55154725
2-chloro-4-(2-cyclobutylethoxy)benzenecarboximidamide
CID 106202100
2-cyclopentyloxy-4-methylbenzenecarboximidamide
CID 62308845
2-chloro-4-(2,2,5,5-tetramethyloxolan-3-yl)oxybenzenecarboximidamide
CID 102724526
2-chloro-4-phenoxybenzenecarboximidamide
CID 62947206
1-bromo-2-chloro-4-cyclohexyloxybenzene
CID 130631642
2-chloro-4-hexoxybenzenecarboximidamide
CID 62948385
2-bromo-4-(1-methylpiperidin-4-yl)oxybenzenecarboximidamide
CID 107279600
2-chloro-4-(2-ethylazepan-1-yl)benzenecarboximidamide
CID 104690051
4-chloro-2-(3-methylcyclohexyl)oxybenzenecarboximidamide
CID 63093879
4-cycloheptyloxy-2-methylbenzenecarbothioamide
CID 81277562

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-cycloheptyloxybenzenecarboximidamide?
The IUPAC name of 2-chloro-4-cycloheptyloxybenzenecarboximidamide (CID 55154723) is 2-chloro-4-cycloheptyloxybenzenecarboximidamide.
What is the SMILES notation for 2-chloro-4-cycloheptyloxybenzenecarboximidamide?
The canonical SMILES for 2-chloro-4-cycloheptyloxybenzenecarboximidamide is [H]/N=C(\N)c1ccc(OC2CCCCCC2)cc1Cl.
What is the InChIKey of 2-chloro-4-cycloheptyloxybenzenecarboximidamide?
The InChIKey is QYSXEFHMKMIWNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O/c15-13-9-11(7-8-12(13)14(16)17)18-10-5-3-1-2-4-6-10/h7-10H,1-6H2,(H3,16,17).
What are the key properties of 2-chloro-4-cycloheptyloxybenzenecarboximidamide?
2-chloro-4-cycloheptyloxybenzenecarboximidamide has a molecular weight of 266.77 g/mol, XLogP of 3.73, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-cycloheptyloxybenzenecarboximidamide is sourced from PubChem (CID 55154723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).