2-[4-[(tert-butylamino)methyl]-N-(2,2-difluoroethyl)anilino]ethanol

C15H24F2N2O — CID 107481467

IUPAC2-[4-[(tert-butylamino)methyl]-N-(2,2-difluoroethyl)anilino]ethanol
SMILESCC(C)(C)NCc1ccc(N(CCO)CC(F)F)cc1
InChIInChI=1S/C15H24F2N2O/c1-15(2,3)18-10-12-4-6-13(7-5-12)19(8-9-20)11-14(16)17/h4-7,14,18,20H,8-11H2,1-3H3
InChIKeyYHFPXIUTCGVIBF-UHFFFAOYSA-N
MW286.37 g/mol
LogP2.64
Rot. Bonds7

About 2-[4-[(tert-butylamino)methyl]-N-(2,2-difluoroethyl)anilino]ethanol

2-[4-[(tert-butylamino)methyl]-N-(2,2-difluoroethyl)anilino]ethanol (PubChem CID 107481467) has the molecular formula C15H24F2N2O and a molecular weight of 286.37 g/mol. Its IUPAC name is 2-[4-[(tert-butylamino)methyl]-N-(2,2-difluoroethyl)anilino]ethanol.

Molecular Properties

Compound Name2-[4-[(tert-butylamino)methyl]-N-(2,2-difluoroethyl)anilino]ethanol
PubChem CID107481467
Molecular FormulaC15H24F2N2O
Molecular Weight286.37 g/mol
Exact Mass286.19
IUPAC Name2-[4-[(tert-butylamino)methyl]-N-(2,2-difluoroethyl)anilino]ethanol
SMILESCC(C)(C)NCc1ccc(N(CCO)CC(F)F)cc1
InChIInChI=1S/C15H24F2N2O/c1-15(2,3)18-10-12-4-6-13(7-5-12)19(8-9-20)11-14(16)17/h4-7,14,18,20H,8-11H2,1-3H3
InChIKeyYHFPXIUTCGVIBF-UHFFFAOYSA-N
XLogP2.64
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 52.64
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-[4-[(tert-butylamino)methyl]-N-(2,2-difluoroethyl)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

Related Compounds

2-[N-(2,2-difluoroethyl)-4-(methylaminomethyl)anilino]ethanol
CID 107481444
2-[4-[(tert-butylamino)methyl]-2-chloro-N-(2,2-difluoroethyl)anilino]ethanol
CID 107481469
4-[(tert-butylamino)methyl]-N,N-diethylaniline
CID 4719207
4-[(tert-butylamino)methyl]-N-ethyl-N-propylaniline
CID 55147217
N-[[4-[(tert-butylamino)methyl]phenyl]methyl]-2-methylpropan-2-amine
CID 22251747
2-[4-[(tert-butylamino)methyl]-N-cyclopentylanilino]ethanol
CID 63071100
2-[2,2-difluoroethyl-[2-(methylamino)-4-pyridinyl]amino]ethanol
CID 107495109
4-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N-propan-2-ylbenzenesulfonamide
CID 107484267
2-[[5-[(tert-butylamino)methyl]-2-pyridinyl]-propylamino]ethanol
CID 80630854
4-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N'-hydroxybenzenecarboximidamide
CID 107480053
2-[4-[(tert-butylamino)methyl]-N-ethylanilino]acetamide
CID 103103191
2-[2,2-difluoroethyl-[6-[1-(ethylamino)propyl]-3-pyridinyl]amino]ethanol
CID 107480571

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(tert-butylamino)methyl]-N-(2,2-difluoroethyl)anilino]ethanol?
The IUPAC name of 2-[4-[(tert-butylamino)methyl]-N-(2,2-difluoroethyl)anilino]ethanol (CID 107481467) is 2-[4-[(tert-butylamino)methyl]-N-(2,2-difluoroethyl)anilino]ethanol.
What is the SMILES notation for 2-[4-[(tert-butylamino)methyl]-N-(2,2-difluoroethyl)anilino]ethanol?
The canonical SMILES for 2-[4-[(tert-butylamino)methyl]-N-(2,2-difluoroethyl)anilino]ethanol is CC(C)(C)NCc1ccc(N(CCO)CC(F)F)cc1.
What is the InChIKey of 2-[4-[(tert-butylamino)methyl]-N-(2,2-difluoroethyl)anilino]ethanol?
The InChIKey is YHFPXIUTCGVIBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24F2N2O/c1-15(2,3)18-10-12-4-6-13(7-5-12)19(8-9-20)11-14(16)17/h4-7,14,18,20H,8-11H2,1-3H3.
What are the key properties of 2-[4-[(tert-butylamino)methyl]-N-(2,2-difluoroethyl)anilino]ethanol?
2-[4-[(tert-butylamino)methyl]-N-(2,2-difluoroethyl)anilino]ethanol has a molecular weight of 286.37 g/mol, XLogP of 2.64, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(tert-butylamino)methyl]-N-(2,2-difluoroethyl)anilino]ethanol is sourced from PubChem (CID 107481467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).