3-[3-(diethylamino)propyl-ethylamino]-5-fluorobenzaldehyde

C16H25FN2O — CID 106529426

IUPAC3-[3-(diethylamino)propyl-ethylamino]-5-fluorobenzaldehyde
SMILESCCN(CC)CCCN(CC)c1cc(F)cc(C=O)c1
InChIInChI=1S/C16H25FN2O/c1-4-18(5-2)8-7-9-19(6-3)16-11-14(13-20)10-15(17)12-16/h10-13H,4-9H2,1-3H3
InChIKeyBETLVZGQKSACGN-UHFFFAOYSA-N
MW280.39 g/mol
LogP3.20
Rot. Bonds9

About 3-[3-(diethylamino)propyl-ethylamino]-5-fluorobenzaldehyde

3-[3-(diethylamino)propyl-ethylamino]-5-fluorobenzaldehyde (PubChem CID 106529426) has the molecular formula C16H25FN2O and a molecular weight of 280.39 g/mol. Its IUPAC name is 3-[3-(diethylamino)propyl-ethylamino]-5-fluorobenzaldehyde.

Molecular Properties

Compound Name3-[3-(diethylamino)propyl-ethylamino]-5-fluorobenzaldehyde
PubChem CID106529426
Molecular FormulaC16H25FN2O
Molecular Weight280.39 g/mol
Exact Mass280.20
IUPAC Name3-[3-(diethylamino)propyl-ethylamino]-5-fluorobenzaldehyde
SMILESCCN(CC)CCCN(CC)c1cc(F)cc(C=O)c1
InChIInChI=1S/C16H25FN2O/c1-4-18(5-2)8-7-9-19(6-3)16-11-14(13-20)10-15(17)12-16/h10-13H,4-9H2,1-3H3
InChIKeyBETLVZGQKSACGN-UHFFFAOYSA-N
XLogP3.20
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[ethyl(prop-2-enyl)amino]-5-fluorobenzaldehyde
CID 106529352
3-[ethyl(prop-2-ynyl)amino]-5-fluorobenzaldehyde
CID 106529349
4-[3-(diethylamino)propyl-ethylamino]-3-fluorobenzaldehyde
CID 102994591
2-(3-fluoro-5-formyl-N-propylanilino)-N,N-dimethylacetamide
CID 106529174
4-[3-(diethylamino)propyl-ethylamino]thiophene-2-carbaldehyde
CID 102994599
4-[3-(diethylamino)propyl-ethylamino]-3-methylbenzaldehyde
CID 102994596
3-fluoro-5-[methyl(4-methylpentan-2-yl)amino]benzaldehyde
CID 106529192
3-fluoro-5-[methyl(2-methylsulfanylethyl)amino]benzaldehyde
CID 106529372
3-fluoro-5-[methyl(3-methylbutyl)amino]benzaldehyde
CID 106529138
3-[tert-butyl(prop-2-enyl)amino]-5-fluorobenzaldehyde
CID 106529356
3-fluoro-5-[methyl(prop-2-enyl)amino]benzaldehyde
CID 106529351
3-[2,2-dimethylpropyl(methyl)amino]-5-fluorobenzaldehyde
CID 106529213

Frequently Asked Questions

What is the IUPAC name of 3-[3-(diethylamino)propyl-ethylamino]-5-fluorobenzaldehyde?
The IUPAC name of 3-[3-(diethylamino)propyl-ethylamino]-5-fluorobenzaldehyde (CID 106529426) is 3-[3-(diethylamino)propyl-ethylamino]-5-fluorobenzaldehyde.
What is the SMILES notation for 3-[3-(diethylamino)propyl-ethylamino]-5-fluorobenzaldehyde?
The canonical SMILES for 3-[3-(diethylamino)propyl-ethylamino]-5-fluorobenzaldehyde is CCN(CC)CCCN(CC)c1cc(F)cc(C=O)c1.
What is the InChIKey of 3-[3-(diethylamino)propyl-ethylamino]-5-fluorobenzaldehyde?
The InChIKey is BETLVZGQKSACGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2O/c1-4-18(5-2)8-7-9-19(6-3)16-11-14(13-20)10-15(17)12-16/h10-13H,4-9H2,1-3H3.
What are the key properties of 3-[3-(diethylamino)propyl-ethylamino]-5-fluorobenzaldehyde?
3-[3-(diethylamino)propyl-ethylamino]-5-fluorobenzaldehyde has a molecular weight of 280.39 g/mol, XLogP of 3.20, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(diethylamino)propyl-ethylamino]-5-fluorobenzaldehyde is sourced from PubChem (CID 106529426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).