2-[2-(diethylamino)ethylamino]-2-(4-fluorophenyl)butan-1-ol

C16H27FN2O — CID 61050212

IUPAC2-[2-(diethylamino)ethylamino]-2-(4-fluorophenyl)butan-1-ol
SMILESCCN(CC)CCNC(CC)(CO)c1ccc(F)cc1
InChIInChI=1S/C16H27FN2O/c1-4-16(13-20,14-7-9-15(17)10-8-14)18-11-12-19(5-2)6-3/h7-10,18,20H,4-6,11-13H2,1-3H3
InChIKeyAFOIADLAHVEWLB-UHFFFAOYSA-N
MW282.40 g/mol
LogP2.35
Rot. Bonds9

About 2-[2-(diethylamino)ethylamino]-2-(4-fluorophenyl)butan-1-ol

2-[2-(diethylamino)ethylamino]-2-(4-fluorophenyl)butan-1-ol (PubChem CID 61050212) has the molecular formula C16H27FN2O and a molecular weight of 282.40 g/mol. Its IUPAC name is 2-[2-(diethylamino)ethylamino]-2-(4-fluorophenyl)butan-1-ol.

Molecular Properties

Compound Name2-[2-(diethylamino)ethylamino]-2-(4-fluorophenyl)butan-1-ol
PubChem CID61050212
Molecular FormulaC16H27FN2O
Molecular Weight282.40 g/mol
Exact Mass282.21
IUPAC Name2-[2-(diethylamino)ethylamino]-2-(4-fluorophenyl)butan-1-ol
SMILESCCN(CC)CCNC(CC)(CO)c1ccc(F)cc1
InChIInChI=1S/C16H27FN2O/c1-4-16(13-20,14-7-9-15(17)10-8-14)18-11-12-19(5-2)6-3/h7-10,18,20H,4-6,11-13H2,1-3H3
InChIKeyAFOIADLAHVEWLB-UHFFFAOYSA-N
XLogP2.35
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.40
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(diethylamino)ethylamino]-2-(4-fluorophenyl)butan-1-ol?
The IUPAC name of 2-[2-(diethylamino)ethylamino]-2-(4-fluorophenyl)butan-1-ol (CID 61050212) is 2-[2-(diethylamino)ethylamino]-2-(4-fluorophenyl)butan-1-ol.
What is the SMILES notation for 2-[2-(diethylamino)ethylamino]-2-(4-fluorophenyl)butan-1-ol?
The canonical SMILES for 2-[2-(diethylamino)ethylamino]-2-(4-fluorophenyl)butan-1-ol is CCN(CC)CCNC(CC)(CO)c1ccc(F)cc1.
What is the InChIKey of 2-[2-(diethylamino)ethylamino]-2-(4-fluorophenyl)butan-1-ol?
The InChIKey is AFOIADLAHVEWLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27FN2O/c1-4-16(13-20,14-7-9-15(17)10-8-14)18-11-12-19(5-2)6-3/h7-10,18,20H,4-6,11-13H2,1-3H3.
What are the key properties of 2-[2-(diethylamino)ethylamino]-2-(4-fluorophenyl)butan-1-ol?
2-[2-(diethylamino)ethylamino]-2-(4-fluorophenyl)butan-1-ol has a molecular weight of 282.40 g/mol, XLogP of 2.35, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(diethylamino)ethylamino]-2-(4-fluorophenyl)butan-1-ol is sourced from PubChem (CID 61050212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).