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

C14H18BrNO2 — CID 114060030

IUPAC2-bromo-4-[cyclopentyl(2-hydroxyethyl)amino]benzaldehyde
SMILESO=Cc1ccc(N(CCO)C2CCCC2)cc1Br
InChIInChI=1S/C14H18BrNO2/c15-14-9-13(6-5-11(14)10-18)16(7-8-17)12-3-1-2-4-12/h5-6,9-10,12,17H,1-4,7-8H2
InChIKeyUZDMQDRNPJCAEU-UHFFFAOYSA-N
MW312.21 g/mol
LogP3.00
Rot. Bonds5

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

2-bromo-4-[cyclopentyl(2-hydroxyethyl)amino]benzaldehyde (PubChem CID 114060030) has the molecular formula C14H18BrNO2 and a molecular weight of 312.21 g/mol. Its IUPAC name is 2-bromo-4-[cyclopentyl(2-hydroxyethyl)amino]benzaldehyde.

Molecular Properties

Compound Name2-bromo-4-[cyclopentyl(2-hydroxyethyl)amino]benzaldehyde
PubChem CID114060030
Molecular FormulaC14H18BrNO2
Molecular Weight312.21 g/mol
Exact Mass311.05
IUPAC Name2-bromo-4-[cyclopentyl(2-hydroxyethyl)amino]benzaldehyde
SMILESO=Cc1ccc(N(CCO)C2CCCC2)cc1Br
InChIInChI=1S/C14H18BrNO2/c15-14-9-13(6-5-11(14)10-18)16(7-8-17)12-3-1-2-4-12/h5-6,9-10,12,17H,1-4,7-8H2
InChIKeyUZDMQDRNPJCAEU-UHFFFAOYSA-N
XLogP3.00
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.21
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[3-bromo-N-cyclopentyl-4-(hydroxymethyl)anilino]ethanol
CID 114060297
4-bromo-2-[cyclobutyl(2-hydroxyethyl)amino]benzaldehyde
CID 102863660
5-bromo-2-[cyclopentyl(2-hydroxyethyl)amino]benzaldehyde
CID 114061228
2-bromo-4-[cyclohexyl(2-hydroxyethyl)amino]benzenecarbothioamide
CID 107277590
2-bromo-4-[cyclobutyl(2-hydroxyethyl)amino]benzenecarbothioamide
CID 107278171
2-[cyclopropyl(2-hydroxyethyl)amino]quinoline-3-carbaldehyde
CID 54995444
2-[(3-bromo-4-pyridinyl)-cyclohexylamino]ethanol
CID 113452105
2-[cyclohexyl(2-hydroxyethyl)amino]pyridine-3-carbaldehyde
CID 114055510
2-[cyclopentyl-[2-(methylamino)-4-pyridinyl]amino]ethanol
CID 113367679
2-[4-(aminomethyl)-3-chloro-N-cyclopentylanilino]ethanol
CID 55152420
2-(3-amino-N-cyclopentyl-4-nitroanilino)ethanol
CID 106751554
2-(4-amino-N-cyclobutylanilino)ethanol
CID 102859463

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-[cyclopentyl(2-hydroxyethyl)amino]benzaldehyde?
The IUPAC name of 2-bromo-4-[cyclopentyl(2-hydroxyethyl)amino]benzaldehyde (CID 114060030) is 2-bromo-4-[cyclopentyl(2-hydroxyethyl)amino]benzaldehyde.
What is the SMILES notation for 2-bromo-4-[cyclopentyl(2-hydroxyethyl)amino]benzaldehyde?
The canonical SMILES for 2-bromo-4-[cyclopentyl(2-hydroxyethyl)amino]benzaldehyde is O=Cc1ccc(N(CCO)C2CCCC2)cc1Br.
What is the InChIKey of 2-bromo-4-[cyclopentyl(2-hydroxyethyl)amino]benzaldehyde?
The InChIKey is UZDMQDRNPJCAEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrNO2/c15-14-9-13(6-5-11(14)10-18)16(7-8-17)12-3-1-2-4-12/h5-6,9-10,12,17H,1-4,7-8H2.
What are the key properties of 2-bromo-4-[cyclopentyl(2-hydroxyethyl)amino]benzaldehyde?
2-bromo-4-[cyclopentyl(2-hydroxyethyl)amino]benzaldehyde has a molecular weight of 312.21 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-[cyclopentyl(2-hydroxyethyl)amino]benzaldehyde is sourced from PubChem (CID 114060030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).