2-[4-(1,1-difluoropropan-2-ylamino)-N-ethylanilino]ethanol

C13H20F2N2O — CID 102869200

IUPAC2-[4-(1,1-difluoropropan-2-ylamino)-N-ethylanilino]ethanol
SMILESCCN(CCO)c1ccc(NC(C)C(F)F)cc1
InChIInChI=1S/C13H20F2N2O/c1-3-17(8-9-18)12-6-4-11(5-7-12)16-10(2)13(14)15/h4-7,10,13,16,18H,3,8-9H2,1-2H3
InChIKeyWQWUUHJFXDHZSG-UHFFFAOYSA-N
MW258.31 g/mol
LogP2.57
Rot. Bonds7

About 2-[4-(1,1-difluoropropan-2-ylamino)-N-ethylanilino]ethanol

2-[4-(1,1-difluoropropan-2-ylamino)-N-ethylanilino]ethanol (PubChem CID 102869200) has the molecular formula C13H20F2N2O and a molecular weight of 258.31 g/mol. Its IUPAC name is 2-[4-(1,1-difluoropropan-2-ylamino)-N-ethylanilino]ethanol.

Molecular Properties

Compound Name2-[4-(1,1-difluoropropan-2-ylamino)-N-ethylanilino]ethanol
PubChem CID102869200
Molecular FormulaC13H20F2N2O
Molecular Weight258.31 g/mol
Exact Mass258.15
IUPAC Name2-[4-(1,1-difluoropropan-2-ylamino)-N-ethylanilino]ethanol
SMILESCCN(CCO)c1ccc(NC(C)C(F)F)cc1
InChIInChI=1S/C13H20F2N2O/c1-3-17(8-9-18)12-6-4-11(5-7-12)16-10(2)13(14)15/h4-7,10,13,16,18H,3,8-9H2,1-2H3
InChIKeyWQWUUHJFXDHZSG-UHFFFAOYSA-N
XLogP2.57
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.31
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

2-[N-ethyl-4-(3-methylbutan-2-ylamino)anilino]ethanol
CID 54866332
2-[4-[ethyl(2-hydroxyethyl)amino]anilino]propanoic acid
CID 66174751
2-[N-ethyl-4-(hexan-2-ylamino)anilino]ethanol
CID 54866191
(1S)-1-[4-[ethyl(2-hydroxyethyl)amino]phenyl]ethanol
CID 63371070
2-[N-ethyl-4-(heptan-3-ylamino)anilino]ethanol
CID 63945933
(2S)-2-[4-[ethyl(propyl)amino]anilino]propanoic acid
CID 70186094
2-[N-ethyl-4-(1-pyrrolidin-2-ylpropan-2-ylamino)anilino]ethanol
CID 79538338
3-(ethylamino)-N-[4-[ethyl(2-hydroxyethyl)amino]phenyl]butanamide
CID 62837414
[4-[ethyl(2-hydroxyethyl)amino]phenyl]azanium
CID 143733505
2-amino-N-[4-[ethyl(2-hydroxyethyl)amino]phenyl]hexanamide
CID 60945538
(2S)-2-amino-N-[4-[ethyl(2-hydroxyethyl)amino]phenyl]hexanamide
CID 107144336
N-[4-[ethyl(2-hydroxyethyl)amino]phenyl]-4-hydroxybutanamide
CID 79204146

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1,1-difluoropropan-2-ylamino)-N-ethylanilino]ethanol?
The IUPAC name of 2-[4-(1,1-difluoropropan-2-ylamino)-N-ethylanilino]ethanol (CID 102869200) is 2-[4-(1,1-difluoropropan-2-ylamino)-N-ethylanilino]ethanol.
What is the SMILES notation for 2-[4-(1,1-difluoropropan-2-ylamino)-N-ethylanilino]ethanol?
The canonical SMILES for 2-[4-(1,1-difluoropropan-2-ylamino)-N-ethylanilino]ethanol is CCN(CCO)c1ccc(NC(C)C(F)F)cc1.
What is the InChIKey of 2-[4-(1,1-difluoropropan-2-ylamino)-N-ethylanilino]ethanol?
The InChIKey is WQWUUHJFXDHZSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F2N2O/c1-3-17(8-9-18)12-6-4-11(5-7-12)16-10(2)13(14)15/h4-7,10,13,16,18H,3,8-9H2,1-2H3.
What are the key properties of 2-[4-(1,1-difluoropropan-2-ylamino)-N-ethylanilino]ethanol?
2-[4-(1,1-difluoropropan-2-ylamino)-N-ethylanilino]ethanol has a molecular weight of 258.31 g/mol, XLogP of 2.57, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1,1-difluoropropan-2-ylamino)-N-ethylanilino]ethanol is sourced from PubChem (CID 102869200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).