4-[ethyl(2-ethylhexyl)amino]benzaldehyde

C17H27NO — CID 87492667

IUPAC4-[ethyl(2-ethylhexyl)amino]benzaldehyde
SMILESCCCCC(CC)CN(CC)c1ccc(C=O)cc1
InChIInChI=1S/C17H27NO/c1-4-7-8-15(5-2)13-18(6-3)17-11-9-16(14-19)10-12-17/h9-12,14-15H,4-8,13H2,1-3H3
InChIKeyFSHXMQPCWATVKI-UHFFFAOYSA-N
MW261.41 g/mol
LogP4.54
Rot. Bonds9

About 4-[ethyl(2-ethylhexyl)amino]benzaldehyde

4-[ethyl(2-ethylhexyl)amino]benzaldehyde (PubChem CID 87492667) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 4-[ethyl(2-ethylhexyl)amino]benzaldehyde.

Molecular Properties

Compound Name4-[ethyl(2-ethylhexyl)amino]benzaldehyde
PubChem CID87492667
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name4-[ethyl(2-ethylhexyl)amino]benzaldehyde
SMILESCCCCC(CC)CN(CC)c1ccc(C=O)cc1
InChIInChI=1S/C17H27NO/c1-4-7-8-15(5-2)13-18(6-3)17-11-9-16(14-19)10-12-17/h9-12,14-15H,4-8,13H2,1-3H3
InChIKeyFSHXMQPCWATVKI-UHFFFAOYSA-N
XLogP4.54
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(dibutylamino)benzaldehyde
CID 605391
3-N-ethyl-3-N-(2-ethylhexyl)benzene-1,3-diamine
CID 63532934
4-ethoxy-N,N-bis(2-ethylhexyl)aniline
CID 59373143
4-(dibutylamino)benzaldehyde;N,N-dibutyl-4-ethenylaniline
CID 158914965
2-ethylhexyl 4-formylbenzoate
CID 138566584
9-(2-ethylhexyl)-9H-fluorene-3,6-dicarbaldehyde
CID 101243551
3-bromo-4-[ethyl(2-ethylbutyl)amino]benzaldehyde
CID 114062178
1-(N-ethyl-4-formylanilino)propan-2-yl acetate
CID 54221384
4-[ethyl(4-hydroxybutyl)amino]benzaldehyde
CID 164863201
4-[pentyl(prop-2-enyl)amino]benzaldehyde
CID 88509633
4-(aminomethyl)-N-ethyl-N-(2-ethylbutyl)aniline
CID 43587074
4-[methyl(pentyl)amino]benzaldehyde
CID 43295080

Frequently Asked Questions

What is the IUPAC name of 4-[ethyl(2-ethylhexyl)amino]benzaldehyde?
The IUPAC name of 4-[ethyl(2-ethylhexyl)amino]benzaldehyde (CID 87492667) is 4-[ethyl(2-ethylhexyl)amino]benzaldehyde.
What is the SMILES notation for 4-[ethyl(2-ethylhexyl)amino]benzaldehyde?
The canonical SMILES for 4-[ethyl(2-ethylhexyl)amino]benzaldehyde is CCCCC(CC)CN(CC)c1ccc(C=O)cc1.
What is the InChIKey of 4-[ethyl(2-ethylhexyl)amino]benzaldehyde?
The InChIKey is FSHXMQPCWATVKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-4-7-8-15(5-2)13-18(6-3)17-11-9-16(14-19)10-12-17/h9-12,14-15H,4-8,13H2,1-3H3.
What are the key properties of 4-[ethyl(2-ethylhexyl)amino]benzaldehyde?
4-[ethyl(2-ethylhexyl)amino]benzaldehyde has a molecular weight of 261.41 g/mol, XLogP of 4.54, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[ethyl(2-ethylhexyl)amino]benzaldehyde is sourced from PubChem (CID 87492667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).