4-chloro-2-[ethyl(2-ethylbutyl)amino]benzaldehyde

C15H22ClNO — CID 114844073

IUPAC4-chloro-2-[ethyl(2-ethylbutyl)amino]benzaldehyde
SMILESCCC(CC)CN(CC)c1cc(Cl)ccc1C=O
InChIInChI=1S/C15H22ClNO/c1-4-12(5-2)10-17(6-3)15-9-14(16)8-7-13(15)11-18/h7-9,11-12H,4-6,10H2,1-3H3
InChIKeyMRUTULUTAKBZAJ-UHFFFAOYSA-N
MW267.80 g/mol
LogP4.41
Rot. Bonds7

About 4-chloro-2-[ethyl(2-ethylbutyl)amino]benzaldehyde

4-chloro-2-[ethyl(2-ethylbutyl)amino]benzaldehyde (PubChem CID 114844073) has the molecular formula C15H22ClNO and a molecular weight of 267.80 g/mol. Its IUPAC name is 4-chloro-2-[ethyl(2-ethylbutyl)amino]benzaldehyde.

Molecular Properties

Compound Name4-chloro-2-[ethyl(2-ethylbutyl)amino]benzaldehyde
PubChem CID114844073
Molecular FormulaC15H22ClNO
Molecular Weight267.80 g/mol
Exact Mass267.14
IUPAC Name4-chloro-2-[ethyl(2-ethylbutyl)amino]benzaldehyde
SMILESCCC(CC)CN(CC)c1cc(Cl)ccc1C=O
InChIInChI=1S/C15H22ClNO/c1-4-12(5-2)10-17(6-3)15-9-14(16)8-7-13(15)11-18/h7-9,11-12H,4-6,10H2,1-3H3
InChIKeyMRUTULUTAKBZAJ-UHFFFAOYSA-N
XLogP4.41
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.80
LogP ≤ 54.41
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-chloro-2-[3-(dimethylamino)propyl-ethylamino]benzaldehyde
CID 102994578
4-chloro-2-[methyl(pentan-3-yl)amino]benzaldehyde
CID 114843974
4-chloro-2-[methyl(2-methylpropyl)amino]benzaldehyde
CID 114843930
2-chloro-6-[ethyl(2-ethylbutyl)amino]benzaldehyde
CID 63536486
3-[5-chloro-2-formyl-N-(2-methylpropyl)anilino]propanenitrile
CID 114844199
2-(2-aminobutyl)-4-chloro-N-ethyl-N-(2-ethylbutyl)aniline
CID 114861221
4-chloro-2-[propyl(2,2,2-trifluoroethyl)amino]benzaldehyde
CID 114844194
3-bromo-4-[ethyl(2-ethylbutyl)amino]benzaldehyde
CID 114062178
2-[tert-butyl(methyl)amino]-4-chlorobenzaldehyde
CID 130756589
4-chloro-2-[(2-hydroxy-3-methoxypropyl)-methylamino]benzaldehyde
CID 114844149
4-chloro-2-[cyclopentyl(3-methylbutyl)amino]benzaldehyde
CID 114844447
4-chloro-2-[2-methoxyethyl(propan-2-yl)amino]benzaldehyde
CID 114844506

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[ethyl(2-ethylbutyl)amino]benzaldehyde?
The IUPAC name of 4-chloro-2-[ethyl(2-ethylbutyl)amino]benzaldehyde (CID 114844073) is 4-chloro-2-[ethyl(2-ethylbutyl)amino]benzaldehyde.
What is the SMILES notation for 4-chloro-2-[ethyl(2-ethylbutyl)amino]benzaldehyde?
The canonical SMILES for 4-chloro-2-[ethyl(2-ethylbutyl)amino]benzaldehyde is CCC(CC)CN(CC)c1cc(Cl)ccc1C=O.
What is the InChIKey of 4-chloro-2-[ethyl(2-ethylbutyl)amino]benzaldehyde?
The InChIKey is MRUTULUTAKBZAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO/c1-4-12(5-2)10-17(6-3)15-9-14(16)8-7-13(15)11-18/h7-9,11-12H,4-6,10H2,1-3H3.
What are the key properties of 4-chloro-2-[ethyl(2-ethylbutyl)amino]benzaldehyde?
4-chloro-2-[ethyl(2-ethylbutyl)amino]benzaldehyde has a molecular weight of 267.80 g/mol, XLogP of 4.41, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[ethyl(2-ethylbutyl)amino]benzaldehyde is sourced from PubChem (CID 114844073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).