4-bromo-2-(3-ethylcyclohexyl)oxybenzenecarboximidamide

C15H21BrN2O — CID 114904900

IUPAC4-bromo-2-(3-ethylcyclohexyl)oxybenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(Br)cc1OC1CCCC(CC)C1
InChIInChI=1S/C15H21BrN2O/c1-2-10-4-3-5-12(8-10)19-14-9-11(16)6-7-13(14)15(17)18/h6-7,9-10,12H,2-5,8H2,1H3,(H3,17,18)
InChIKeyLRPNPXLUIXEGMR-UHFFFAOYSA-N
MW325.25 g/mol
LogP4.08
Rot. Bonds4

About 4-bromo-2-(3-ethylcyclohexyl)oxybenzenecarboximidamide

4-bromo-2-(3-ethylcyclohexyl)oxybenzenecarboximidamide (PubChem CID 114904900) has the molecular formula C15H21BrN2O and a molecular weight of 325.25 g/mol. Its IUPAC name is 4-bromo-2-(3-ethylcyclohexyl)oxybenzenecarboximidamide.

Molecular Properties

Compound Name4-bromo-2-(3-ethylcyclohexyl)oxybenzenecarboximidamide
PubChem CID114904900
Molecular FormulaC15H21BrN2O
Molecular Weight325.25 g/mol
Exact Mass324.08
IUPAC Name4-bromo-2-(3-ethylcyclohexyl)oxybenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(Br)cc1OC1CCCC(CC)C1
InChIInChI=1S/C15H21BrN2O/c1-2-10-4-3-5-12(8-10)19-14-9-11(16)6-7-13(14)15(17)18/h6-7,9-10,12H,2-5,8H2,1H3,(H3,17,18)
InChIKeyLRPNPXLUIXEGMR-UHFFFAOYSA-N
XLogP4.08
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.25
LogP ≤ 54.08
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-bromo-2-(3-ethylcyclohexyl)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

4-bromo-2-(2,6-dimethyloxan-4-yl)oxybenzenecarboximidamide
CID 114904936
2-cyclopentyloxy-4-methylbenzenecarboximidamide
CID 62308845
4-chloro-2-(3-methylcyclohexyl)oxybenzenecarboximidamide
CID 63093879
1-[4-bromo-2-(3-ethylcyclohexyl)oxyphenyl]-N-ethylethanamine
CID 82953599
6-(3-ethylcyclohexyl)oxypyridine-2-carboximidamide
CID 64595989
1-(4-bromo-2-cyclopentyloxyphenyl)ethanone
CID 70085923
3-[(3-ethylcyclohexyl)oxymethyl]-2-fluorobenzenecarboximidamide
CID 107118212
2-chloro-4-(3-methylcyclohexyl)oxybenzenecarboximidamide
CID 62948386
4-chloro-2-(2-ethylcyclohexyl)oxybenzenecarboximidamide
CID 63094207
2-(3-methoxycyclohexyl)oxy-5-methylbenzenecarboximidamide
CID 107930837
5-bromo-2-(3-ethylcyclohexyl)oxy-4-fluoroaniline
CID 66109591
4-bromo-2-cyclopentyloxybenzoic acid
CID 60763632

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(3-ethylcyclohexyl)oxybenzenecarboximidamide?
The IUPAC name of 4-bromo-2-(3-ethylcyclohexyl)oxybenzenecarboximidamide (CID 114904900) is 4-bromo-2-(3-ethylcyclohexyl)oxybenzenecarboximidamide.
What is the SMILES notation for 4-bromo-2-(3-ethylcyclohexyl)oxybenzenecarboximidamide?
The canonical SMILES for 4-bromo-2-(3-ethylcyclohexyl)oxybenzenecarboximidamide is [H]/N=C(\N)c1ccc(Br)cc1OC1CCCC(CC)C1.
What is the InChIKey of 4-bromo-2-(3-ethylcyclohexyl)oxybenzenecarboximidamide?
The InChIKey is LRPNPXLUIXEGMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2O/c1-2-10-4-3-5-12(8-10)19-14-9-11(16)6-7-13(14)15(17)18/h6-7,9-10,12H,2-5,8H2,1H3,(H3,17,18).
What are the key properties of 4-bromo-2-(3-ethylcyclohexyl)oxybenzenecarboximidamide?
4-bromo-2-(3-ethylcyclohexyl)oxybenzenecarboximidamide has a molecular weight of 325.25 g/mol, XLogP of 4.08, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-(3-ethylcyclohexyl)oxybenzenecarboximidamide is sourced from PubChem (CID 114904900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).