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

C14H18BrNO2 — CID 114061228

IUPAC5-bromo-2-[cyclopentyl(2-hydroxyethyl)amino]benzaldehyde
SMILESO=Cc1cc(Br)ccc1N(CCO)C1CCCC1
InChIInChI=1S/C14H18BrNO2/c15-12-5-6-14(11(9-12)10-18)16(7-8-17)13-3-1-2-4-13/h5-6,9-10,13,17H,1-4,7-8H2
InChIKeySLELIUXZLUTVRZ-UHFFFAOYSA-N
MW312.21 g/mol
LogP3.00
Rot. Bonds5

About 5-bromo-2-[cyclopentyl(2-hydroxyethyl)amino]benzaldehyde

5-bromo-2-[cyclopentyl(2-hydroxyethyl)amino]benzaldehyde (PubChem CID 114061228) has the molecular formula C14H18BrNO2 and a molecular weight of 312.21 g/mol. Its IUPAC name is 5-bromo-2-[cyclopentyl(2-hydroxyethyl)amino]benzaldehyde.

Molecular Properties

Compound Name5-bromo-2-[cyclopentyl(2-hydroxyethyl)amino]benzaldehyde
PubChem CID114061228
Molecular FormulaC14H18BrNO2
Molecular Weight312.21 g/mol
Exact Mass311.05
IUPAC Name5-bromo-2-[cyclopentyl(2-hydroxyethyl)amino]benzaldehyde
SMILESO=Cc1cc(Br)ccc1N(CCO)C1CCCC1
InChIInChI=1S/C14H18BrNO2/c15-12-5-6-14(11(9-12)10-18)16(7-8-17)13-3-1-2-4-13/h5-6,9-10,13,17H,1-4,7-8H2
InChIKeySLELIUXZLUTVRZ-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

4-bromo-2-[cyclobutyl(2-hydroxyethyl)amino]benzaldehyde
CID 102863660
2-(4-bromo-N-cyclobutyl-2-nitroanilino)ethanol
CID 102675210
3-chloro-4-[cyclopentyl(2-hydroxyethyl)amino]benzaldehyde
CID 81145443
2-bromo-4-[cyclopentyl(2-hydroxyethyl)amino]benzaldehyde
CID 114060030
4-bromo-2-[cyclopentyl(ethyl)amino]benzaldehyde
CID 43541309
4-[cyclopentyl(2-hydroxyethyl)amino]-3-fluorobenzaldehyde
CID 54994433
2-[5-bromo-N-cyclobutyl-2-(ethylaminomethyl)anilino]ethanol
CID 102864917
1-[3-bromo-4-[cyclopentyl(2-hydroxyethyl)amino]phenyl]ethanone
CID 55132262
2-[(3-bromo-4-pyridinyl)-cyclohexylamino]ethanol
CID 113452105
2-(4-amino-N-cyclopentyl-2-iodoanilino)ethanol
CID 66095606
2-bromo-4-[cyclopentyl(2-hydroxyethyl)amino]-3-fluorobenzonitrile
CID 107533458
2-[N-cyclopentyl-4-fluoro-2-(hydroxymethyl)anilino]ethanol
CID 54994152

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[cyclopentyl(2-hydroxyethyl)amino]benzaldehyde?
The IUPAC name of 5-bromo-2-[cyclopentyl(2-hydroxyethyl)amino]benzaldehyde (CID 114061228) is 5-bromo-2-[cyclopentyl(2-hydroxyethyl)amino]benzaldehyde.
What is the SMILES notation for 5-bromo-2-[cyclopentyl(2-hydroxyethyl)amino]benzaldehyde?
The canonical SMILES for 5-bromo-2-[cyclopentyl(2-hydroxyethyl)amino]benzaldehyde is O=Cc1cc(Br)ccc1N(CCO)C1CCCC1.
What is the InChIKey of 5-bromo-2-[cyclopentyl(2-hydroxyethyl)amino]benzaldehyde?
The InChIKey is SLELIUXZLUTVRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrNO2/c15-12-5-6-14(11(9-12)10-18)16(7-8-17)13-3-1-2-4-13/h5-6,9-10,13,17H,1-4,7-8H2.
What are the key properties of 5-bromo-2-[cyclopentyl(2-hydroxyethyl)amino]benzaldehyde?
5-bromo-2-[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 5-bromo-2-[cyclopentyl(2-hydroxyethyl)amino]benzaldehyde is sourced from PubChem (CID 114061228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).