5-bromo-4-hydroxy-2-methoxybenzaldehyde;cyclohexanamine

C14H20BrNO3 — CID 23291649

IUPAC5-bromo-4-hydroxy-2-methoxybenzaldehyde;cyclohexanamine
SMILESCOc1cc(O)c(Br)cc1C=O.NC1CCCCC1
InChIInChI=1S/C8H7BrO3.C6H13N/c1-12-8-3-7(11)6(9)2-5(8)4-10;7-6-4-2-1-3-5-6/h2-4,11H,1H3;6H,1-5,7H2
InChIKeyREGJHQISIFJQIJ-UHFFFAOYSA-N
MW330.22 g/mol
LogP3.25
Rot. Bonds2

About 5-bromo-4-hydroxy-2-methoxybenzaldehyde;cyclohexanamine

5-bromo-4-hydroxy-2-methoxybenzaldehyde;cyclohexanamine (PubChem CID 23291649) has the molecular formula C14H20BrNO3 and a molecular weight of 330.22 g/mol. Its IUPAC name is 5-bromo-4-hydroxy-2-methoxybenzaldehyde;cyclohexanamine.

Molecular Properties

Compound Name5-bromo-4-hydroxy-2-methoxybenzaldehyde;cyclohexanamine
PubChem CID23291649
Molecular FormulaC14H20BrNO3
Molecular Weight330.22 g/mol
Exact Mass329.06
IUPAC Name5-bromo-4-hydroxy-2-methoxybenzaldehyde;cyclohexanamine
SMILESCOc1cc(O)c(Br)cc1C=O.NC1CCCCC1
InChIInChI=1S/C8H7BrO3.C6H13N/c1-12-8-3-7(11)6(9)2-5(8)4-10;7-6-4-2-1-3-5-6/h2-4,11H,1H3;6H,1-5,7H2
InChIKeyREGJHQISIFJQIJ-UHFFFAOYSA-N
XLogP3.25
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.22
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 5-bromo-4-hydroxy-2-methoxybenzaldehyde;cyclohexanamine 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-fluoro-5-hydroxybenzaldehyde;4-bromo-2-fluoro-5-methoxybenzaldehyde
CID 160822889
2-amino-5-hydroxy-4-methoxybenzaldehyde
CID 123401327
5-formyl-2-hydroxy-4-methoxybenzenesulfonic acid
CID 54046139
3,5-dibromo-2-hydroxy-4-methoxybenzaldehyde
CID 3506623
2-[1-(aminomethyl)cyclohexyl]-4-hydroxy-5-methoxybenzaldehyde
CID 117413127
ethane;2,4,5-trimethoxybenzaldehyde
CID 144606441
(E)-1-(3-aminophenyl)-3-(5-bromo-4-hydroxy-2-methoxyphenyl)prop-2-en-1-one
CID 54583805
2-(4-bromo-5-formyl-2-methoxyphenoxy)-N-cyclopentylacetamide
CID 7568980
2,3-dibromo-4-hydroxy-5-methoxybenzaldehyde
CID 520452
1-(2-bromo-4,5-dimethoxyphenyl)-2-cyclobutylethanone
CID 103162365
6,13,19,20,26,27-hexamethoxypentacyclo[22.4.0.03,8.010,15.017,22]octacosa-1(28),3,5,7,10,12,14,17,19,21,24,26-dodecaene-5,12-dicarbaldehyde
CID 164843046
5-formyl-2-iodo-4-methoxybenzamide
CID 171015652

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-hydroxy-2-methoxybenzaldehyde;cyclohexanamine?
The IUPAC name of 5-bromo-4-hydroxy-2-methoxybenzaldehyde;cyclohexanamine (CID 23291649) is 5-bromo-4-hydroxy-2-methoxybenzaldehyde;cyclohexanamine.
What is the SMILES notation for 5-bromo-4-hydroxy-2-methoxybenzaldehyde;cyclohexanamine?
The canonical SMILES for 5-bromo-4-hydroxy-2-methoxybenzaldehyde;cyclohexanamine is COc1cc(O)c(Br)cc1C=O.NC1CCCCC1.
What is the InChIKey of 5-bromo-4-hydroxy-2-methoxybenzaldehyde;cyclohexanamine?
The InChIKey is REGJHQISIFJQIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrO3.C6H13N/c1-12-8-3-7(11)6(9)2-5(8)4-10;7-6-4-2-1-3-5-6/h2-4,11H,1H3;6H,1-5,7H2.
What are the key properties of 5-bromo-4-hydroxy-2-methoxybenzaldehyde;cyclohexanamine?
5-bromo-4-hydroxy-2-methoxybenzaldehyde;cyclohexanamine has a molecular weight of 330.22 g/mol, XLogP of 3.25, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-hydroxy-2-methoxybenzaldehyde;cyclohexanamine is sourced from PubChem (CID 23291649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).