2-[2-(diethylamino)ethylamino]-2-(2,5-difluorophenyl)propan-1-ol

C15H24F2N2O — CID 61048420

IUPAC2-[2-(diethylamino)ethylamino]-2-(2,5-difluorophenyl)propan-1-ol
SMILESCCN(CC)CCNC(C)(CO)c1cc(F)ccc1F
InChIInChI=1S/C15H24F2N2O/c1-4-19(5-2)9-8-18-15(3,11-20)13-10-12(16)6-7-14(13)17/h6-7,10,18,20H,4-5,8-9,11H2,1-3H3
InChIKeyMVUIWPSIVWSICE-UHFFFAOYSA-N
MW286.37 g/mol
LogP2.10
Rot. Bonds8

About 2-[2-(diethylamino)ethylamino]-2-(2,5-difluorophenyl)propan-1-ol

2-[2-(diethylamino)ethylamino]-2-(2,5-difluorophenyl)propan-1-ol (PubChem CID 61048420) has the molecular formula C15H24F2N2O and a molecular weight of 286.37 g/mol. Its IUPAC name is 2-[2-(diethylamino)ethylamino]-2-(2,5-difluorophenyl)propan-1-ol.

Molecular Properties

Compound Name2-[2-(diethylamino)ethylamino]-2-(2,5-difluorophenyl)propan-1-ol
PubChem CID61048420
Molecular FormulaC15H24F2N2O
Molecular Weight286.37 g/mol
Exact Mass286.19
IUPAC Name2-[2-(diethylamino)ethylamino]-2-(2,5-difluorophenyl)propan-1-ol
SMILESCCN(CC)CCNC(C)(CO)c1cc(F)ccc1F
InChIInChI=1S/C15H24F2N2O/c1-4-19(5-2)9-8-18-15(3,11-20)13-10-12(16)6-7-14(13)17/h6-7,10,18,20H,4-5,8-9,11H2,1-3H3
InChIKeyMVUIWPSIVWSICE-UHFFFAOYSA-N
XLogP2.10
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 52.10
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-(2,5-difluorophenyl)propan-1-ol?
The IUPAC name of 2-[2-(diethylamino)ethylamino]-2-(2,5-difluorophenyl)propan-1-ol (CID 61048420) is 2-[2-(diethylamino)ethylamino]-2-(2,5-difluorophenyl)propan-1-ol.
What is the SMILES notation for 2-[2-(diethylamino)ethylamino]-2-(2,5-difluorophenyl)propan-1-ol?
The canonical SMILES for 2-[2-(diethylamino)ethylamino]-2-(2,5-difluorophenyl)propan-1-ol is CCN(CC)CCNC(C)(CO)c1cc(F)ccc1F.
What is the InChIKey of 2-[2-(diethylamino)ethylamino]-2-(2,5-difluorophenyl)propan-1-ol?
The InChIKey is MVUIWPSIVWSICE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24F2N2O/c1-4-19(5-2)9-8-18-15(3,11-20)13-10-12(16)6-7-14(13)17/h6-7,10,18,20H,4-5,8-9,11H2,1-3H3.
What are the key properties of 2-[2-(diethylamino)ethylamino]-2-(2,5-difluorophenyl)propan-1-ol?
2-[2-(diethylamino)ethylamino]-2-(2,5-difluorophenyl)propan-1-ol has a molecular weight of 286.37 g/mol, XLogP of 2.10, 8 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-(2,5-difluorophenyl)propan-1-ol is sourced from PubChem (CID 61048420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).