2-[4-amino-5-chloro-N-(2,2-difluoroethyl)-2-methylanilino]ethanol

C11H15ClF2N2O — CID 107478130

IUPAC2-[4-amino-5-chloro-N-(2,2-difluoroethyl)-2-methylanilino]ethanol
SMILESCc1cc(N)c(Cl)cc1N(CCO)CC(F)F
InChIInChI=1S/C11H15ClF2N2O/c1-7-4-9(15)8(12)5-10(7)16(2-3-17)6-11(13)14/h4-5,11,17H,2-3,6,15H2,1H3
InChIKeyDEGQXKKQJCGOEV-UHFFFAOYSA-N
MW264.70 g/mol
LogP2.29
Rot. Bonds5

About 2-[4-amino-5-chloro-N-(2,2-difluoroethyl)-2-methylanilino]ethanol

2-[4-amino-5-chloro-N-(2,2-difluoroethyl)-2-methylanilino]ethanol (PubChem CID 107478130) has the molecular formula C11H15ClF2N2O and a molecular weight of 264.70 g/mol. Its IUPAC name is 2-[4-amino-5-chloro-N-(2,2-difluoroethyl)-2-methylanilino]ethanol.

Molecular Properties

Compound Name2-[4-amino-5-chloro-N-(2,2-difluoroethyl)-2-methylanilino]ethanol
PubChem CID107478130
Molecular FormulaC11H15ClF2N2O
Molecular Weight264.70 g/mol
Exact Mass264.08
IUPAC Name2-[4-amino-5-chloro-N-(2,2-difluoroethyl)-2-methylanilino]ethanol
SMILESCc1cc(N)c(Cl)cc1N(CCO)CC(F)F
InChIInChI=1S/C11H15ClF2N2O/c1-7-4-9(15)8(12)5-10(7)16(2-3-17)6-11(13)14/h4-5,11,17H,2-3,6,15H2,1H3
InChIKeyDEGQXKKQJCGOEV-UHFFFAOYSA-N
XLogP2.29
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.70
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[4-amino-5-chloro-N-(2,2-difluoroethyl)-2-methylanilino]ethanol?
The IUPAC name of 2-[4-amino-5-chloro-N-(2,2-difluoroethyl)-2-methylanilino]ethanol (CID 107478130) is 2-[4-amino-5-chloro-N-(2,2-difluoroethyl)-2-methylanilino]ethanol.
What is the SMILES notation for 2-[4-amino-5-chloro-N-(2,2-difluoroethyl)-2-methylanilino]ethanol?
The canonical SMILES for 2-[4-amino-5-chloro-N-(2,2-difluoroethyl)-2-methylanilino]ethanol is Cc1cc(N)c(Cl)cc1N(CCO)CC(F)F.
What is the InChIKey of 2-[4-amino-5-chloro-N-(2,2-difluoroethyl)-2-methylanilino]ethanol?
The InChIKey is DEGQXKKQJCGOEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClF2N2O/c1-7-4-9(15)8(12)5-10(7)16(2-3-17)6-11(13)14/h4-5,11,17H,2-3,6,15H2,1H3.
What are the key properties of 2-[4-amino-5-chloro-N-(2,2-difluoroethyl)-2-methylanilino]ethanol?
2-[4-amino-5-chloro-N-(2,2-difluoroethyl)-2-methylanilino]ethanol has a molecular weight of 264.70 g/mol, XLogP of 2.29, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-amino-5-chloro-N-(2,2-difluoroethyl)-2-methylanilino]ethanol is sourced from PubChem (CID 107478130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).