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

C14H18BrNO — CID 43541309

IUPAC4-bromo-2-[cyclopentyl(ethyl)amino]benzaldehyde
SMILESCCN(c1cc(Br)ccc1C=O)C1CCCC1
InChIInChI=1S/C14H18BrNO/c1-2-16(13-5-3-4-6-13)14-9-12(15)8-7-11(14)10-17/h7-10,13H,2-6H2,1H3
InChIKeyGSBVFEYYVXGXHQ-UHFFFAOYSA-N
MW296.21 g/mol
LogP4.03
Rot. Bonds4

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

4-bromo-2-[cyclopentyl(ethyl)amino]benzaldehyde (PubChem CID 43541309) has the molecular formula C14H18BrNO and a molecular weight of 296.21 g/mol. Its IUPAC name is 4-bromo-2-[cyclopentyl(ethyl)amino]benzaldehyde.

Molecular Properties

Compound Name4-bromo-2-[cyclopentyl(ethyl)amino]benzaldehyde
PubChem CID43541309
Molecular FormulaC14H18BrNO
Molecular Weight296.21 g/mol
Exact Mass295.06
IUPAC Name4-bromo-2-[cyclopentyl(ethyl)amino]benzaldehyde
SMILESCCN(c1cc(Br)ccc1C=O)C1CCCC1
InChIInChI=1S/C14H18BrNO/c1-2-16(13-5-3-4-6-13)14-9-12(15)8-7-11(14)10-17/h7-10,13H,2-6H2,1H3
InChIKeyGSBVFEYYVXGXHQ-UHFFFAOYSA-N
XLogP4.03
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.21
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-[cyclopentyl(ethyl)amino]benzaldehyde?
The IUPAC name of 4-bromo-2-[cyclopentyl(ethyl)amino]benzaldehyde (CID 43541309) is 4-bromo-2-[cyclopentyl(ethyl)amino]benzaldehyde.
What is the SMILES notation for 4-bromo-2-[cyclopentyl(ethyl)amino]benzaldehyde?
The canonical SMILES for 4-bromo-2-[cyclopentyl(ethyl)amino]benzaldehyde is CCN(c1cc(Br)ccc1C=O)C1CCCC1.
What is the InChIKey of 4-bromo-2-[cyclopentyl(ethyl)amino]benzaldehyde?
The InChIKey is GSBVFEYYVXGXHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrNO/c1-2-16(13-5-3-4-6-13)14-9-12(15)8-7-11(14)10-17/h7-10,13H,2-6H2,1H3.
What are the key properties of 4-bromo-2-[cyclopentyl(ethyl)amino]benzaldehyde?
4-bromo-2-[cyclopentyl(ethyl)amino]benzaldehyde has a molecular weight of 296.21 g/mol, XLogP of 4.03, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-[cyclopentyl(ethyl)amino]benzaldehyde is sourced from PubChem (CID 43541309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).