2-[N-(2,2-difluoroethyl)-4-(ethylaminomethyl)-2,6-difluoroanilino]ethanol

C13H18F4N2O — CID 107481434

IUPAC2-[N-(2,2-difluoroethyl)-4-(ethylaminomethyl)-2,6-difluoroanilino]ethanol
SMILESCCNCc1cc(F)c(N(CCO)CC(F)F)c(F)c1
InChIInChI=1S/C13H18F4N2O/c1-2-18-7-9-5-10(14)13(11(15)6-9)19(3-4-20)8-12(16)17/h5-6,12,18,20H,2-4,7-8H2,1H3
InChIKeyDCPPOAPESUFYFL-UHFFFAOYSA-N
MW294.29 g/mol
LogP2.14
Rot. Bonds8

About 2-[N-(2,2-difluoroethyl)-4-(ethylaminomethyl)-2,6-difluoroanilino]ethanol

2-[N-(2,2-difluoroethyl)-4-(ethylaminomethyl)-2,6-difluoroanilino]ethanol (PubChem CID 107481434) has the molecular formula C13H18F4N2O and a molecular weight of 294.29 g/mol. Its IUPAC name is 2-[N-(2,2-difluoroethyl)-4-(ethylaminomethyl)-2,6-difluoroanilino]ethanol.

Molecular Properties

Compound Name2-[N-(2,2-difluoroethyl)-4-(ethylaminomethyl)-2,6-difluoroanilino]ethanol
PubChem CID107481434
Molecular FormulaC13H18F4N2O
Molecular Weight294.29 g/mol
Exact Mass294.14
IUPAC Name2-[N-(2,2-difluoroethyl)-4-(ethylaminomethyl)-2,6-difluoroanilino]ethanol
SMILESCCNCc1cc(F)c(N(CCO)CC(F)F)c(F)c1
InChIInChI=1S/C13H18F4N2O/c1-2-18-7-9-5-10(14)13(11(15)6-9)19(3-4-20)8-12(16)17/h5-6,12,18,20H,2-4,7-8H2,1H3
InChIKeyDCPPOAPESUFYFL-UHFFFAOYSA-N
XLogP2.14
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.29
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[N-(2,2-difluoroethyl)-4-(ethylaminomethyl)-2,6-difluoroanilino]ethanol with MolForge

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

Launch Full Analysis

Related Compounds

2-[2,6-difluoro-4-[(propan-2-ylamino)methyl]-N-propylanilino]ethanol
CID 63075915
4-[2,2-difluoroethyl(2-hydroxyethyl)amino]-3,5-difluorobenzoic acid
CID 107480412
2-[N-ethyl-2,6-difluoro-4-[(2-methoxyethylamino)methyl]anilino]ethanol
CID 63059172
4-(ethylaminomethyl)-2,6-difluorophenol
CID 79832688
4-(ethylaminomethyl)-2,6-difluoro-N-pentyl-N-propan-2-ylaniline
CID 63553234
N-[(3,5-difluoro-4-propan-2-yloxyphenyl)methyl]ethanamine
CID 79892242
2-[4-[(tert-butylamino)methyl]-N-(2,2-difluoroethyl)anilino]ethanol
CID 107481467
4-(ethylaminomethyl)-2,6-difluoro-N-methyl-N-(1-methylsulfanylbutan-2-yl)aniline
CID 115986265
2-[N-(2,2-difluoroethyl)-4-(methylaminomethyl)anilino]ethanol
CID 107481444
N-[(3,5-difluoro-4-methylsulfanylphenyl)methyl]ethanamine
CID 63812832
2,6-difluoro-4-(methylaminomethyl)-N,N-dipropylaniline
CID 63051923
2-[2,2-difluoroethyl-[2-(methylamino)-4-pyridinyl]amino]ethanol
CID 107495109

Frequently Asked Questions

What is the IUPAC name of 2-[N-(2,2-difluoroethyl)-4-(ethylaminomethyl)-2,6-difluoroanilino]ethanol?
The IUPAC name of 2-[N-(2,2-difluoroethyl)-4-(ethylaminomethyl)-2,6-difluoroanilino]ethanol (CID 107481434) is 2-[N-(2,2-difluoroethyl)-4-(ethylaminomethyl)-2,6-difluoroanilino]ethanol.
What is the SMILES notation for 2-[N-(2,2-difluoroethyl)-4-(ethylaminomethyl)-2,6-difluoroanilino]ethanol?
The canonical SMILES for 2-[N-(2,2-difluoroethyl)-4-(ethylaminomethyl)-2,6-difluoroanilino]ethanol is CCNCc1cc(F)c(N(CCO)CC(F)F)c(F)c1.
What is the InChIKey of 2-[N-(2,2-difluoroethyl)-4-(ethylaminomethyl)-2,6-difluoroanilino]ethanol?
The InChIKey is DCPPOAPESUFYFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F4N2O/c1-2-18-7-9-5-10(14)13(11(15)6-9)19(3-4-20)8-12(16)17/h5-6,12,18,20H,2-4,7-8H2,1H3.
What are the key properties of 2-[N-(2,2-difluoroethyl)-4-(ethylaminomethyl)-2,6-difluoroanilino]ethanol?
2-[N-(2,2-difluoroethyl)-4-(ethylaminomethyl)-2,6-difluoroanilino]ethanol has a molecular weight of 294.29 g/mol, XLogP of 2.14, 8 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-(ethylaminomethyl)-2,6-difluoroanilino]ethanol is sourced from PubChem (CID 107481434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).