1-(2,6-difluorophenyl)-2-[2-[di(propan-2-yl)amino]ethylamino]ethanol

C16H26F2N2O — CID 60898591

IUPAC1-(2,6-difluorophenyl)-2-[2-[di(propan-2-yl)amino]ethylamino]ethanol
SMILESCC(C)N(CCNCC(O)c1c(F)cccc1F)C(C)C
InChIInChI=1S/C16H26F2N2O/c1-11(2)20(12(3)4)9-8-19-10-15(21)16-13(17)6-5-7-14(16)18/h5-7,11-12,15,19,21H,8-10H2,1-4H3
InChIKeyPHWZKDAKSKPIQJ-UHFFFAOYSA-N
MW300.39 g/mol
LogP2.71
Rot. Bonds8

About 1-(2,6-difluorophenyl)-2-[2-[di(propan-2-yl)amino]ethylamino]ethanol

1-(2,6-difluorophenyl)-2-[2-[di(propan-2-yl)amino]ethylamino]ethanol (PubChem CID 60898591) has the molecular formula C16H26F2N2O and a molecular weight of 300.39 g/mol. Its IUPAC name is 1-(2,6-difluorophenyl)-2-[2-[di(propan-2-yl)amino]ethylamino]ethanol.

Molecular Properties

Compound Name1-(2,6-difluorophenyl)-2-[2-[di(propan-2-yl)amino]ethylamino]ethanol
PubChem CID60898591
Molecular FormulaC16H26F2N2O
Molecular Weight300.39 g/mol
Exact Mass300.20
IUPAC Name1-(2,6-difluorophenyl)-2-[2-[di(propan-2-yl)amino]ethylamino]ethanol
SMILESCC(C)N(CCNCC(O)c1c(F)cccc1F)C(C)C
InChIInChI=1S/C16H26F2N2O/c1-11(2)20(12(3)4)9-8-19-10-15(21)16-13(17)6-5-7-14(16)18/h5-7,11-12,15,19,21H,8-10H2,1-4H3
InChIKeyPHWZKDAKSKPIQJ-UHFFFAOYSA-N
XLogP2.71
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.39
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[di(propan-2-yl)amino]ethylamino]-1-(3-fluorophenyl)ethanol
CID 60898398
5-[[2-(2,6-difluorophenyl)-2-hydroxyethyl]amino]pentan-2-ol
CID 106131236
2-(2,2-difluoroethylamino)-1-(2,6-difluorophenyl)ethanol
CID 115406681
1-(2,6-difluorophenyl)-2-(prop-2-ynylamino)ethanol
CID 60903674
2-[[2-(2,6-difluorophenyl)-2-hydroxyethyl]amino]-N-propan-2-ylacetamide
CID 54938590
2-[[2-(2,6-difluorophenyl)-2-hydroxyethyl]amino]-N,N-dimethylacetamide
CID 60901983
2-(2-butoxyethylamino)-1-(2,6-difluorophenyl)ethanol
CID 61171635
1,3-difluoro-2-[1-hydroxy-2-(sulfamoylamino)ethyl]benzene
CID 111450119
1-[[2-(2,6-difluorophenyl)-2-hydroxyethyl]amino]-3-ethylpentan-2-ol
CID 106285685
1-(2-chloro-6-fluorophenyl)-2-(2-methoxyethylamino)ethanol
CID 62774538
1-(2,6-difluorophenyl)-2-[2-(1-methylpyrazol-3-yl)ethylamino]ethanol
CID 106104708
ethyl 4-[[2-(2,6-difluorophenyl)-2-hydroxyethyl]amino]butanoate
CID 64578937

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluorophenyl)-2-[2-[di(propan-2-yl)amino]ethylamino]ethanol?
The IUPAC name of 1-(2,6-difluorophenyl)-2-[2-[di(propan-2-yl)amino]ethylamino]ethanol (CID 60898591) is 1-(2,6-difluorophenyl)-2-[2-[di(propan-2-yl)amino]ethylamino]ethanol.
What is the SMILES notation for 1-(2,6-difluorophenyl)-2-[2-[di(propan-2-yl)amino]ethylamino]ethanol?
The canonical SMILES for 1-(2,6-difluorophenyl)-2-[2-[di(propan-2-yl)amino]ethylamino]ethanol is CC(C)N(CCNCC(O)c1c(F)cccc1F)C(C)C.
What is the InChIKey of 1-(2,6-difluorophenyl)-2-[2-[di(propan-2-yl)amino]ethylamino]ethanol?
The InChIKey is PHWZKDAKSKPIQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26F2N2O/c1-11(2)20(12(3)4)9-8-19-10-15(21)16-13(17)6-5-7-14(16)18/h5-7,11-12,15,19,21H,8-10H2,1-4H3.
What are the key properties of 1-(2,6-difluorophenyl)-2-[2-[di(propan-2-yl)amino]ethylamino]ethanol?
1-(2,6-difluorophenyl)-2-[2-[di(propan-2-yl)amino]ethylamino]ethanol has a molecular weight of 300.39 g/mol, XLogP of 2.71, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluorophenyl)-2-[2-[di(propan-2-yl)amino]ethylamino]ethanol is sourced from PubChem (CID 60898591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).