3-(N-ethylanilino)benzaldehyde

C15H15NO — CID 139661006

IUPAC3-(N-ethylanilino)benzaldehyde
SMILESCCN(c1ccccc1)c1cccc(C=O)c1
InChIInChI=1S/C15H15NO/c1-2-16(14-8-4-3-5-9-14)15-10-6-7-13(11-15)12-17/h3-12H,2H2,1H3
InChIKeyHSKVLVGEVQIGQM-UHFFFAOYSA-N
MW225.29 g/mol
LogP3.66
Rot. Bonds4

About 3-(N-ethylanilino)benzaldehyde

3-(N-ethylanilino)benzaldehyde (PubChem CID 139661006) has the molecular formula C15H15NO and a molecular weight of 225.29 g/mol. Its IUPAC name is 3-(N-ethylanilino)benzaldehyde.

Molecular Properties

Compound Name3-(N-ethylanilino)benzaldehyde
PubChem CID139661006
Molecular FormulaC15H15NO
Molecular Weight225.29 g/mol
Exact Mass225.12
IUPAC Name3-(N-ethylanilino)benzaldehyde
SMILESCCN(c1ccccc1)c1cccc(C=O)c1
InChIInChI=1S/C15H15NO/c1-2-16(14-8-4-3-5-9-14)15-10-6-7-13(11-15)12-17/h3-12H,2H2,1H3
InChIKeyHSKVLVGEVQIGQM-UHFFFAOYSA-N
XLogP3.66
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 53.66
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

3-[benzyl(ethyl)amino]benzaldehyde
CID 84758568
4-(N-ethylanilino)-2-methylbenzaldehyde
CID 62135921
2-(N-ethylanilino)-5-formylbenzonitrile
CID 114063228
benzaldehyde;ethane;propane
CID 91184446
3-[ethyl(2-hydroxyethyl)amino]benzaldehyde
CID 84758573
N,N-dimethylethenamine;N-ethyl-N-(3-formylphenyl)acetamide
CID 143013806
3-(N-[4-[4-(N-(3-methoxyphenyl)anilino)-N-[4-(N-(3-methoxyphenyl)anilino)phenyl]anilino]phenyl]anilino)benzaldehyde
CID 126595640
3-[(N-methylanilino)methyl]benzaldehyde
CID 122476125
benzaldehyde;ethane
CID 54495732
2-(N-ethyl-3-methylanilino)pyrimidine-5-carbaldehyde
CID 113387632
benzaldehyde;methanethiol
CID 142053607
benzene-1,3-dicarbaldehyde;ethane
CID 91375977

Frequently Asked Questions

What is the IUPAC name of 3-(N-ethylanilino)benzaldehyde?
The IUPAC name of 3-(N-ethylanilino)benzaldehyde (CID 139661006) is 3-(N-ethylanilino)benzaldehyde.
What is the SMILES notation for 3-(N-ethylanilino)benzaldehyde?
The canonical SMILES for 3-(N-ethylanilino)benzaldehyde is CCN(c1ccccc1)c1cccc(C=O)c1.
What is the InChIKey of 3-(N-ethylanilino)benzaldehyde?
The InChIKey is HSKVLVGEVQIGQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO/c1-2-16(14-8-4-3-5-9-14)15-10-6-7-13(11-15)12-17/h3-12H,2H2,1H3.
What are the key properties of 3-(N-ethylanilino)benzaldehyde?
3-(N-ethylanilino)benzaldehyde has a molecular weight of 225.29 g/mol, XLogP of 3.66, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-ethylanilino)benzaldehyde is sourced from PubChem (CID 139661006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).