4-[ethyl(4-hydroxybutyl)amino]benzaldehyde

C13H19NO2 — CID 164863201

IUPAC4-[ethyl(4-hydroxybutyl)amino]benzaldehyde
SMILESCCN(CCCCO)c1ccc(C=O)cc1
InChIInChI=1S/C13H19NO2/c1-2-14(9-3-4-10-15)13-7-5-12(11-16)6-8-13/h5-8,11,15H,2-4,9-10H2,1H3
InChIKeyZCEKUJVSLJFAET-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.10
Rot. Bonds7

About 4-[ethyl(4-hydroxybutyl)amino]benzaldehyde

4-[ethyl(4-hydroxybutyl)amino]benzaldehyde (PubChem CID 164863201) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 4-[ethyl(4-hydroxybutyl)amino]benzaldehyde.

Molecular Properties

Compound Name4-[ethyl(4-hydroxybutyl)amino]benzaldehyde
PubChem CID164863201
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name4-[ethyl(4-hydroxybutyl)amino]benzaldehyde
SMILESCCN(CCCCO)c1ccc(C=O)cc1
InChIInChI=1S/C13H19NO2/c1-2-14(9-3-4-10-15)13-7-5-12(11-16)6-8-13/h5-8,11,15H,2-4,9-10H2,1H3
InChIKeyZCEKUJVSLJFAET-UHFFFAOYSA-N
XLogP2.10
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(N-ethyl-4-formylanilino)butanoic acid
CID 22561269
4-(dibutylamino)benzaldehyde
CID 605391
6-(N-ethyl-4-fluoroanilino)hexan-1-ol
CID 103738482
4-[2-[[4-[ethyl(4-hydroxybutyl)amino]phenyl]methylidene]hydrazinyl]benzoic acid
CID 164863185
5-[N-ethyl-4-[(E)-2-thiophen-2-ylethenyl]anilino]pentan-1-ol
CID 58914188
4-[butyl-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl]amino]benzaldehyde
CID 87586742
4-[pentyl(prop-2-enyl)amino]benzaldehyde
CID 88509633
4-(dibutylamino)benzaldehyde;N,N-dibutyl-4-ethenylaniline
CID 158914965
3-[ethyl(2-hydroxyethyl)amino]benzaldehyde
CID 84758573
3-[N-ethyl-4-(trifluoromethyl)anilino]propan-1-ol
CID 113468933
6-[N-(6-hydroxyhexyl)-4-[2-(4-methylsulfonylphenyl)ethenyl]anilino]hexan-1-ol
CID 54060983
4-[2-(2-aminoethoxy)ethyl-ethylamino]benzaldehyde
CID 154967536

Frequently Asked Questions

What is the IUPAC name of 4-[ethyl(4-hydroxybutyl)amino]benzaldehyde?
The IUPAC name of 4-[ethyl(4-hydroxybutyl)amino]benzaldehyde (CID 164863201) is 4-[ethyl(4-hydroxybutyl)amino]benzaldehyde.
What is the SMILES notation for 4-[ethyl(4-hydroxybutyl)amino]benzaldehyde?
The canonical SMILES for 4-[ethyl(4-hydroxybutyl)amino]benzaldehyde is CCN(CCCCO)c1ccc(C=O)cc1.
What is the InChIKey of 4-[ethyl(4-hydroxybutyl)amino]benzaldehyde?
The InChIKey is ZCEKUJVSLJFAET-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-2-14(9-3-4-10-15)13-7-5-12(11-16)6-8-13/h5-8,11,15H,2-4,9-10H2,1H3.
What are the key properties of 4-[ethyl(4-hydroxybutyl)amino]benzaldehyde?
4-[ethyl(4-hydroxybutyl)amino]benzaldehyde has a molecular weight of 221.30 g/mol, XLogP of 2.10, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[ethyl(4-hydroxybutyl)amino]benzaldehyde is sourced from PubChem (CID 164863201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).