2-[4-(ethylaminomethyl)-2-methyl-N-(2,2,2-trifluoroethyl)anilino]ethanol

C14H21F3N2O — CID 107481554

IUPAC2-[4-(ethylaminomethyl)-2-methyl-N-(2,2,2-trifluoroethyl)anilino]ethanol
SMILESCCNCc1ccc(N(CCO)CC(F)(F)F)c(C)c1
InChIInChI=1S/C14H21F3N2O/c1-3-18-9-12-4-5-13(11(2)8-12)19(6-7-20)10-14(15,16)17/h4-5,8,18,20H,3,6-7,9-10H2,1-2H3
InChIKeyHRBNLXAEVOTVNZ-UHFFFAOYSA-N
MW290.33 g/mol
LogP2.47
Rot. Bonds7

About 2-[4-(ethylaminomethyl)-2-methyl-N-(2,2,2-trifluoroethyl)anilino]ethanol

2-[4-(ethylaminomethyl)-2-methyl-N-(2,2,2-trifluoroethyl)anilino]ethanol (PubChem CID 107481554) has the molecular formula C14H21F3N2O and a molecular weight of 290.33 g/mol. Its IUPAC name is 2-[4-(ethylaminomethyl)-2-methyl-N-(2,2,2-trifluoroethyl)anilino]ethanol.

Molecular Properties

Compound Name2-[4-(ethylaminomethyl)-2-methyl-N-(2,2,2-trifluoroethyl)anilino]ethanol
PubChem CID107481554
Molecular FormulaC14H21F3N2O
Molecular Weight290.33 g/mol
Exact Mass290.16
IUPAC Name2-[4-(ethylaminomethyl)-2-methyl-N-(2,2,2-trifluoroethyl)anilino]ethanol
SMILESCCNCc1ccc(N(CCO)CC(F)(F)F)c(C)c1
InChIInChI=1S/C14H21F3N2O/c1-3-18-9-12-4-5-13(11(2)8-12)19(6-7-20)10-14(15,16)17/h4-5,8,18,20H,3,6-7,9-10H2,1-2H3
InChIKeyHRBNLXAEVOTVNZ-UHFFFAOYSA-N
XLogP2.47
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.33
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(aminomethyl)-2-methyl-N-(2,2,2-trifluoroethyl)anilino]ethanol
CID 107481543
2-[2-chloro-4-(propylaminomethyl)-N-(2,2,2-trifluoroethyl)anilino]ethanol
CID 107481491
2-[[5-(ethylaminomethyl)-2-pyridinyl]-(2,2,2-trifluoroethyl)amino]ethanol
CID 107481493
4-[(tert-butylamino)methyl]-N-ethyl-2-methyl-N-(2,2,2-trifluoroethyl)aniline
CID 62123132
N-(2,2-dimethylpropyl)-4-(ethylaminomethyl)-N,2-dimethylaniline
CID 62122953
N-ethyl-4-(ethylaminomethyl)-2-methyl-N-(2-methylpropyl)aniline
CID 62121360
N-ethyl-4-(ethylaminomethyl)-N-(2,2,2-trifluoroethyl)aniline
CID 55009021
2-(ethylaminomethyl)-N-propyl-N-(2,2,2-trifluoroethyl)aniline
CID 55008675
2-[N-benzyl-2-methyl-4-(methylaminomethyl)anilino]ethanol
CID 62125453
N-butan-2-yl-4-(ethylaminomethyl)-N,2-dimethylaniline
CID 62121015
2-[N-ethyl-4-(ethylaminomethyl)-2-propan-2-yloxyanilino]ethanol
CID 84750416
2-[2-methyl-N-propan-2-yl-4-(propylaminomethyl)anilino]ethanol
CID 62123309

Frequently Asked Questions

What is the IUPAC name of 2-[4-(ethylaminomethyl)-2-methyl-N-(2,2,2-trifluoroethyl)anilino]ethanol?
The IUPAC name of 2-[4-(ethylaminomethyl)-2-methyl-N-(2,2,2-trifluoroethyl)anilino]ethanol (CID 107481554) is 2-[4-(ethylaminomethyl)-2-methyl-N-(2,2,2-trifluoroethyl)anilino]ethanol.
What is the SMILES notation for 2-[4-(ethylaminomethyl)-2-methyl-N-(2,2,2-trifluoroethyl)anilino]ethanol?
The canonical SMILES for 2-[4-(ethylaminomethyl)-2-methyl-N-(2,2,2-trifluoroethyl)anilino]ethanol is CCNCc1ccc(N(CCO)CC(F)(F)F)c(C)c1.
What is the InChIKey of 2-[4-(ethylaminomethyl)-2-methyl-N-(2,2,2-trifluoroethyl)anilino]ethanol?
The InChIKey is HRBNLXAEVOTVNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F3N2O/c1-3-18-9-12-4-5-13(11(2)8-12)19(6-7-20)10-14(15,16)17/h4-5,8,18,20H,3,6-7,9-10H2,1-2H3.
What are the key properties of 2-[4-(ethylaminomethyl)-2-methyl-N-(2,2,2-trifluoroethyl)anilino]ethanol?
2-[4-(ethylaminomethyl)-2-methyl-N-(2,2,2-trifluoroethyl)anilino]ethanol has a molecular weight of 290.33 g/mol, XLogP of 2.47, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(ethylaminomethyl)-2-methyl-N-(2,2,2-trifluoroethyl)anilino]ethanol is sourced from PubChem (CID 107481554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).