2-[N-(2,2-difluoroethyl)-4-(methylaminomethyl)anilino]ethanol

C12H18F2N2O — CID 107481444

IUPAC2-[N-(2,2-difluoroethyl)-4-(methylaminomethyl)anilino]ethanol
SMILESCNCc1ccc(N(CCO)CC(F)F)cc1
InChIInChI=1S/C12H18F2N2O/c1-15-8-10-2-4-11(5-3-10)16(6-7-17)9-12(13)14/h2-5,12,15,17H,6-9H2,1H3
InChIKeyCWNIYEAVTGMDSM-UHFFFAOYSA-N
MW244.28 g/mol
LogP1.47
Rot. Bonds7

About 2-[N-(2,2-difluoroethyl)-4-(methylaminomethyl)anilino]ethanol

2-[N-(2,2-difluoroethyl)-4-(methylaminomethyl)anilino]ethanol (PubChem CID 107481444) has the molecular formula C12H18F2N2O and a molecular weight of 244.28 g/mol. Its IUPAC name is 2-[N-(2,2-difluoroethyl)-4-(methylaminomethyl)anilino]ethanol.

Molecular Properties

Compound Name2-[N-(2,2-difluoroethyl)-4-(methylaminomethyl)anilino]ethanol
PubChem CID107481444
Molecular FormulaC12H18F2N2O
Molecular Weight244.28 g/mol
Exact Mass244.14
IUPAC Name2-[N-(2,2-difluoroethyl)-4-(methylaminomethyl)anilino]ethanol
SMILESCNCc1ccc(N(CCO)CC(F)F)cc1
InChIInChI=1S/C12H18F2N2O/c1-15-8-10-2-4-11(5-3-10)16(6-7-17)9-12(13)14/h2-5,12,15,17H,6-9H2,1H3
InChIKeyCWNIYEAVTGMDSM-UHFFFAOYSA-N
XLogP1.47
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.28
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Analyze 2-[N-(2,2-difluoroethyl)-4-(methylaminomethyl)anilino]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[N-(2,2-difluoroethyl)-4-(methylaminomethyl)anilino]ethanol?
The IUPAC name of 2-[N-(2,2-difluoroethyl)-4-(methylaminomethyl)anilino]ethanol (CID 107481444) is 2-[N-(2,2-difluoroethyl)-4-(methylaminomethyl)anilino]ethanol.
What is the SMILES notation for 2-[N-(2,2-difluoroethyl)-4-(methylaminomethyl)anilino]ethanol?
The canonical SMILES for 2-[N-(2,2-difluoroethyl)-4-(methylaminomethyl)anilino]ethanol is CNCc1ccc(N(CCO)CC(F)F)cc1.
What is the InChIKey of 2-[N-(2,2-difluoroethyl)-4-(methylaminomethyl)anilino]ethanol?
The InChIKey is CWNIYEAVTGMDSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F2N2O/c1-15-8-10-2-4-11(5-3-10)16(6-7-17)9-12(13)14/h2-5,12,15,17H,6-9H2,1H3.
What are the key properties of 2-[N-(2,2-difluoroethyl)-4-(methylaminomethyl)anilino]ethanol?
2-[N-(2,2-difluoroethyl)-4-(methylaminomethyl)anilino]ethanol has a molecular weight of 244.28 g/mol, XLogP of 1.47, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(2,2-difluoroethyl)-4-(methylaminomethyl)anilino]ethanol is sourced from PubChem (CID 107481444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).