4-bromo-2-[cyclobutyl(2-hydroxyethyl)amino]benzaldehyde

C13H16BrNO2 — CID 102863660

IUPAC4-bromo-2-[cyclobutyl(2-hydroxyethyl)amino]benzaldehyde
SMILESO=Cc1ccc(Br)cc1N(CCO)C1CCC1
InChIInChI=1S/C13H16BrNO2/c14-11-5-4-10(9-17)13(8-11)15(6-7-16)12-2-1-3-12/h4-5,8-9,12,16H,1-3,6-7H2
InChIKeyZLEPIWUBPZEQBZ-UHFFFAOYSA-N
MW298.18 g/mol
LogP2.61
Rot. Bonds5

About 4-bromo-2-[cyclobutyl(2-hydroxyethyl)amino]benzaldehyde

4-bromo-2-[cyclobutyl(2-hydroxyethyl)amino]benzaldehyde (PubChem CID 102863660) has the molecular formula C13H16BrNO2 and a molecular weight of 298.18 g/mol. Its IUPAC name is 4-bromo-2-[cyclobutyl(2-hydroxyethyl)amino]benzaldehyde.

Molecular Properties

Compound Name4-bromo-2-[cyclobutyl(2-hydroxyethyl)amino]benzaldehyde
PubChem CID102863660
Molecular FormulaC13H16BrNO2
Molecular Weight298.18 g/mol
Exact Mass297.04
IUPAC Name4-bromo-2-[cyclobutyl(2-hydroxyethyl)amino]benzaldehyde
SMILESO=Cc1ccc(Br)cc1N(CCO)C1CCC1
InChIInChI=1S/C13H16BrNO2/c14-11-5-4-10(9-17)13(8-11)15(6-7-16)12-2-1-3-12/h4-5,8-9,12,16H,1-3,6-7H2
InChIKeyZLEPIWUBPZEQBZ-UHFFFAOYSA-N
XLogP2.61
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.18
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-bromo-2-[cyclobutyl(2-hydroxyethyl)amino]benzaldehyde 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

5-bromo-2-[cyclopentyl(2-hydroxyethyl)amino]benzaldehyde
CID 114061228
4-bromo-2-[cyclopentyl(ethyl)amino]benzaldehyde
CID 43541309
2-bromo-4-[cyclopentyl(2-hydroxyethyl)amino]benzaldehyde
CID 114060030
2-[5-bromo-N-cyclobutyl-2-(ethylaminomethyl)anilino]ethanol
CID 102864917
2-(4-bromo-N-cyclobutyl-2-nitroanilino)ethanol
CID 102675210
3-chloro-4-[cyclopentyl(2-hydroxyethyl)amino]benzaldehyde
CID 81145443
2-[5-bromo-N-cyclopropyl-2-(methylaminomethyl)anilino]ethanol
CID 54994722
3-[5-bromo-N-cyclobutyl-2-(propylaminomethyl)anilino]propan-1-ol
CID 102864710
4-[cyclopentyl(2-hydroxyethyl)amino]-3-fluorobenzaldehyde
CID 54994433
2-[(3-bromo-4-pyridinyl)-cyclohexylamino]ethanol
CID 113452105
3-[5-bromo-N-cyclobutyl-2-[1-(ethylamino)ethyl]anilino]propan-1-ol
CID 102863395
1-[3-bromo-4-[cyclopentyl(2-hydroxyethyl)amino]phenyl]ethanone
CID 55132262

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-[cyclobutyl(2-hydroxyethyl)amino]benzaldehyde?
The IUPAC name of 4-bromo-2-[cyclobutyl(2-hydroxyethyl)amino]benzaldehyde (CID 102863660) is 4-bromo-2-[cyclobutyl(2-hydroxyethyl)amino]benzaldehyde.
What is the SMILES notation for 4-bromo-2-[cyclobutyl(2-hydroxyethyl)amino]benzaldehyde?
The canonical SMILES for 4-bromo-2-[cyclobutyl(2-hydroxyethyl)amino]benzaldehyde is O=Cc1ccc(Br)cc1N(CCO)C1CCC1.
What is the InChIKey of 4-bromo-2-[cyclobutyl(2-hydroxyethyl)amino]benzaldehyde?
The InChIKey is ZLEPIWUBPZEQBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrNO2/c14-11-5-4-10(9-17)13(8-11)15(6-7-16)12-2-1-3-12/h4-5,8-9,12,16H,1-3,6-7H2.
What are the key properties of 4-bromo-2-[cyclobutyl(2-hydroxyethyl)amino]benzaldehyde?
4-bromo-2-[cyclobutyl(2-hydroxyethyl)amino]benzaldehyde has a molecular weight of 298.18 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-[cyclobutyl(2-hydroxyethyl)amino]benzaldehyde is sourced from PubChem (CID 102863660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).