4-[ethyl(methyl)amino]-3-[3-(trifluoromethyl)phenyl]benzaldehyde

C17H16F3NO — CID 122475846

IUPAC4-[ethyl(methyl)amino]-3-[3-(trifluoromethyl)phenyl]benzaldehyde
SMILESCCN(C)c1ccc(C=O)cc1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H16F3NO/c1-3-21(2)16-8-7-12(11-22)9-15(16)13-5-4-6-14(10-13)17(18,19)20/h4-11H,3H2,1-2H3
InChIKeyOOIHHNXGTWMCFP-UHFFFAOYSA-N
MW307.31 g/mol
LogP4.64
Rot. Bonds4

About 4-[ethyl(methyl)amino]-3-[3-(trifluoromethyl)phenyl]benzaldehyde

4-[ethyl(methyl)amino]-3-[3-(trifluoromethyl)phenyl]benzaldehyde (PubChem CID 122475846) has the molecular formula C17H16F3NO and a molecular weight of 307.31 g/mol. Its IUPAC name is 4-[ethyl(methyl)amino]-3-[3-(trifluoromethyl)phenyl]benzaldehyde.

Molecular Properties

Compound Name4-[ethyl(methyl)amino]-3-[3-(trifluoromethyl)phenyl]benzaldehyde
PubChem CID122475846
Molecular FormulaC17H16F3NO
Molecular Weight307.31 g/mol
Exact Mass307.12
IUPAC Name4-[ethyl(methyl)amino]-3-[3-(trifluoromethyl)phenyl]benzaldehyde
SMILESCCN(C)c1ccc(C=O)cc1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H16F3NO/c1-3-21(2)16-8-7-12(11-22)9-15(16)13-5-4-6-14(10-13)17(18,19)20/h4-11H,3H2,1-2H3
InChIKeyOOIHHNXGTWMCFP-UHFFFAOYSA-N
XLogP4.64
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.31
LogP ≤ 54.64
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-[ethyl(methyl)amino]-3-[3-(trifluoromethyl)phenyl]benzaldehyde?
The IUPAC name of 4-[ethyl(methyl)amino]-3-[3-(trifluoromethyl)phenyl]benzaldehyde (CID 122475846) is 4-[ethyl(methyl)amino]-3-[3-(trifluoromethyl)phenyl]benzaldehyde.
What is the SMILES notation for 4-[ethyl(methyl)amino]-3-[3-(trifluoromethyl)phenyl]benzaldehyde?
The canonical SMILES for 4-[ethyl(methyl)amino]-3-[3-(trifluoromethyl)phenyl]benzaldehyde is CCN(C)c1ccc(C=O)cc1-c1cccc(C(F)(F)F)c1.
What is the InChIKey of 4-[ethyl(methyl)amino]-3-[3-(trifluoromethyl)phenyl]benzaldehyde?
The InChIKey is OOIHHNXGTWMCFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3NO/c1-3-21(2)16-8-7-12(11-22)9-15(16)13-5-4-6-14(10-13)17(18,19)20/h4-11H,3H2,1-2H3.
What are the key properties of 4-[ethyl(methyl)amino]-3-[3-(trifluoromethyl)phenyl]benzaldehyde?
4-[ethyl(methyl)amino]-3-[3-(trifluoromethyl)phenyl]benzaldehyde has a molecular weight of 307.31 g/mol, XLogP of 4.64, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[ethyl(methyl)amino]-3-[3-(trifluoromethyl)phenyl]benzaldehyde is sourced from PubChem (CID 122475846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).