4-chloro-2-(3-methylcyclohexyl)oxybenzenecarboximidamide

C14H19ClN2O — CID 63093879

IUPAC4-chloro-2-(3-methylcyclohexyl)oxybenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(Cl)cc1OC1CCCC(C)C1
InChIInChI=1S/C14H19ClN2O/c1-9-3-2-4-11(7-9)18-13-8-10(15)5-6-12(13)14(16)17/h5-6,8-9,11H,2-4,7H2,1H3,(H3,16,17)
InChIKeyLWACOPORPMUSBP-UHFFFAOYSA-N
MW266.77 g/mol
LogP3.58
Rot. Bonds3

About 4-chloro-2-(3-methylcyclohexyl)oxybenzenecarboximidamide

4-chloro-2-(3-methylcyclohexyl)oxybenzenecarboximidamide (PubChem CID 63093879) has the molecular formula C14H19ClN2O and a molecular weight of 266.77 g/mol. Its IUPAC name is 4-chloro-2-(3-methylcyclohexyl)oxybenzenecarboximidamide.

Molecular Properties

Compound Name4-chloro-2-(3-methylcyclohexyl)oxybenzenecarboximidamide
PubChem CID63093879
Molecular FormulaC14H19ClN2O
Molecular Weight266.77 g/mol
Exact Mass266.12
IUPAC Name4-chloro-2-(3-methylcyclohexyl)oxybenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(Cl)cc1OC1CCCC(C)C1
InChIInChI=1S/C14H19ClN2O/c1-9-3-2-4-11(7-9)18-13-8-10(15)5-6-12(13)14(16)17/h5-6,8-9,11H,2-4,7H2,1H3,(H3,16,17)
InChIKeyLWACOPORPMUSBP-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'}

Analyze 4-chloro-2-(3-methylcyclohexyl)oxybenzenecarboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-chloro-4-(3-methylcyclohexyl)oxybenzenecarboximidamide
CID 62948386
5-chloro-2-(4-methylcyclohexyl)oxybenzenecarboximidamide
CID 62494922
4-chloro-2-(oxetan-3-yloxy)benzenecarboximidamide
CID 102606531
3-(3-methylcyclohexyl)oxypyridazine-4-carboximidamide
CID 80514124
2-cyclopentyloxy-4-methylbenzenecarboximidamide
CID 62308845
4-chloro-2-(2-ethylcyclohexyl)oxybenzenecarboximidamide
CID 63094207
4-chloro-2-methoxybenzenecarboximidamide
CID 63093709
4-chloro-2-(5-oxaspiro[3.5]nonan-8-yloxy)benzenecarboximidamide
CID 114323579
4-chloro-2-propan-2-yloxybenzenecarboximidamide
CID 63094382
4-bromo-2-(3-ethylcyclohexyl)oxybenzenecarboximidamide
CID 114904900
2-methyl-4-(3-methylcyclohexyl)oxypyrimidine-5-carboximidamide
CID 112755848
2-chloro-4-cycloheptyloxybenzenecarboximidamide
CID 55154723

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(3-methylcyclohexyl)oxybenzenecarboximidamide?
The IUPAC name of 4-chloro-2-(3-methylcyclohexyl)oxybenzenecarboximidamide (CID 63093879) is 4-chloro-2-(3-methylcyclohexyl)oxybenzenecarboximidamide.
What is the SMILES notation for 4-chloro-2-(3-methylcyclohexyl)oxybenzenecarboximidamide?
The canonical SMILES for 4-chloro-2-(3-methylcyclohexyl)oxybenzenecarboximidamide is [H]/N=C(\N)c1ccc(Cl)cc1OC1CCCC(C)C1.
What is the InChIKey of 4-chloro-2-(3-methylcyclohexyl)oxybenzenecarboximidamide?
The InChIKey is LWACOPORPMUSBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O/c1-9-3-2-4-11(7-9)18-13-8-10(15)5-6-12(13)14(16)17/h5-6,8-9,11H,2-4,7H2,1H3,(H3,16,17).
What are the key properties of 4-chloro-2-(3-methylcyclohexyl)oxybenzenecarboximidamide?
4-chloro-2-(3-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 4-chloro-2-(3-methylcyclohexyl)oxybenzenecarboximidamide is sourced from PubChem (CID 63093879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).