2-[4-(diethylaminomethyl)-3-fluoroanilino]-2-methylpropanal

C15H23FN2O — CID 88957009

IUPAC2-[4-(diethylaminomethyl)-3-fluoroanilino]-2-methylpropanal
SMILESCCN(CC)Cc1ccc(NC(C)(C)C=O)cc1F
InChIInChI=1S/C15H23FN2O/c1-5-18(6-2)10-12-7-8-13(9-14(12)16)17-15(3,4)11-19/h7-9,11,17H,5-6,10H2,1-4H3
InChIKeyIUCYDIIICXPABA-UHFFFAOYSA-N
MW266.36 g/mol
LogP3.06
Rot. Bonds7

About 2-[4-(diethylaminomethyl)-3-fluoroanilino]-2-methylpropanal

2-[4-(diethylaminomethyl)-3-fluoroanilino]-2-methylpropanal (PubChem CID 88957009) has the molecular formula C15H23FN2O and a molecular weight of 266.36 g/mol. Its IUPAC name is 2-[4-(diethylaminomethyl)-3-fluoroanilino]-2-methylpropanal.

Molecular Properties

Compound Name2-[4-(diethylaminomethyl)-3-fluoroanilino]-2-methylpropanal
PubChem CID88957009
Molecular FormulaC15H23FN2O
Molecular Weight266.36 g/mol
Exact Mass266.18
IUPAC Name2-[4-(diethylaminomethyl)-3-fluoroanilino]-2-methylpropanal
SMILESCCN(CC)Cc1ccc(NC(C)(C)C=O)cc1F
InChIInChI=1S/C15H23FN2O/c1-5-18(6-2)10-12-7-8-13(9-14(12)16)17-15(3,4)11-19/h7-9,11,17H,5-6,10H2,1-4H3
InChIKeyIUCYDIIICXPABA-UHFFFAOYSA-N
XLogP3.06
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.36
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(diethylaminomethyl)-3-fluoroanilino]-2-methylpropanal?
The IUPAC name of 2-[4-(diethylaminomethyl)-3-fluoroanilino]-2-methylpropanal (CID 88957009) is 2-[4-(diethylaminomethyl)-3-fluoroanilino]-2-methylpropanal.
What is the SMILES notation for 2-[4-(diethylaminomethyl)-3-fluoroanilino]-2-methylpropanal?
The canonical SMILES for 2-[4-(diethylaminomethyl)-3-fluoroanilino]-2-methylpropanal is CCN(CC)Cc1ccc(NC(C)(C)C=O)cc1F.
What is the InChIKey of 2-[4-(diethylaminomethyl)-3-fluoroanilino]-2-methylpropanal?
The InChIKey is IUCYDIIICXPABA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O/c1-5-18(6-2)10-12-7-8-13(9-14(12)16)17-15(3,4)11-19/h7-9,11,17H,5-6,10H2,1-4H3.
What are the key properties of 2-[4-(diethylaminomethyl)-3-fluoroanilino]-2-methylpropanal?
2-[4-(diethylaminomethyl)-3-fluoroanilino]-2-methylpropanal has a molecular weight of 266.36 g/mol, XLogP of 3.06, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(diethylaminomethyl)-3-fluoroanilino]-2-methylpropanal is sourced from PubChem (CID 88957009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).