2-[2-(dimethylamino)ethylamino]-2-[3-(trifluoromethyl)phenyl]ethanol

C13H19F3N2O — CID 61053912

IUPAC2-[2-(dimethylamino)ethylamino]-2-[3-(trifluoromethyl)phenyl]ethanol
SMILESCN(C)CCNC(CO)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H19F3N2O/c1-18(2)7-6-17-12(9-19)10-4-3-5-11(8-10)13(14,15)16/h3-5,8,12,17,19H,6-7,9H2,1-2H3
InChIKeyCBBGGVMBVXTCHM-UHFFFAOYSA-N
MW276.30 g/mol
LogP1.89
Rot. Bonds6

About 2-[2-(dimethylamino)ethylamino]-2-[3-(trifluoromethyl)phenyl]ethanol

2-[2-(dimethylamino)ethylamino]-2-[3-(trifluoromethyl)phenyl]ethanol (PubChem CID 61053912) has the molecular formula C13H19F3N2O and a molecular weight of 276.30 g/mol. Its IUPAC name is 2-[2-(dimethylamino)ethylamino]-2-[3-(trifluoromethyl)phenyl]ethanol.

Molecular Properties

Compound Name2-[2-(dimethylamino)ethylamino]-2-[3-(trifluoromethyl)phenyl]ethanol
PubChem CID61053912
Molecular FormulaC13H19F3N2O
Molecular Weight276.30 g/mol
Exact Mass276.14
IUPAC Name2-[2-(dimethylamino)ethylamino]-2-[3-(trifluoromethyl)phenyl]ethanol
SMILESCN(C)CCNC(CO)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H19F3N2O/c1-18(2)7-6-17-12(9-19)10-4-3-5-11(8-10)13(14,15)16/h3-5,8,12,17,19H,6-7,9H2,1-2H3
InChIKeyCBBGGVMBVXTCHM-UHFFFAOYSA-N
XLogP1.89
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(dimethylamino)ethylamino]-2-(3-fluoro-4-methylphenyl)ethanol
CID 55245379
2-(dimethylamino)-1-[3-(trifluoromethyl)phenyl]ethanol
CID 60981029
2-[2-(dimethylamino)ethylamino]-2-phenyl-N-[3-(trifluoromethyl)phenyl]acetamide
CID 4881044
2-(4-bromo-3-methylphenyl)-2-[2-(dimethylamino)ethylamino]ethanol
CID 66480263
2-(3,5-dichlorophenyl)-2-[2-(dimethylamino)ethylamino]ethanol
CID 61056763
2-(2-chloro-6-fluorophenyl)-2-[2-(dimethylamino)ethylamino]ethanol
CID 61054534
3-methyl-N-propyl-1-[3-(trifluoromethyl)phenyl]butan-1-amine
CID 60819147
3-methyl-N-propyl-1-[3-(trifluoromethyl)phenyl]but-3-en-1-amine
CID 79178039
2-(2,6-dichlorophenyl)-2-[2-(dimethylamino)ethylamino]ethanol
CID 61054329
N-[2-(1,3-dioxolan-2-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]propan-1-amine
CID 103546653
N-[2-ethylsulfinyl-1-[3-(trifluoromethyl)phenyl]ethyl]propan-1-amine
CID 64652133
1-(dimethylamino)-2-methyl-3-[1-[3-(trifluoromethyl)phenyl]ethylamino]propan-2-ol
CID 103904346

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)ethylamino]-2-[3-(trifluoromethyl)phenyl]ethanol?
The IUPAC name of 2-[2-(dimethylamino)ethylamino]-2-[3-(trifluoromethyl)phenyl]ethanol (CID 61053912) is 2-[2-(dimethylamino)ethylamino]-2-[3-(trifluoromethyl)phenyl]ethanol.
What is the SMILES notation for 2-[2-(dimethylamino)ethylamino]-2-[3-(trifluoromethyl)phenyl]ethanol?
The canonical SMILES for 2-[2-(dimethylamino)ethylamino]-2-[3-(trifluoromethyl)phenyl]ethanol is CN(C)CCNC(CO)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-[2-(dimethylamino)ethylamino]-2-[3-(trifluoromethyl)phenyl]ethanol?
The InChIKey is CBBGGVMBVXTCHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N2O/c1-18(2)7-6-17-12(9-19)10-4-3-5-11(8-10)13(14,15)16/h3-5,8,12,17,19H,6-7,9H2,1-2H3.
What are the key properties of 2-[2-(dimethylamino)ethylamino]-2-[3-(trifluoromethyl)phenyl]ethanol?
2-[2-(dimethylamino)ethylamino]-2-[3-(trifluoromethyl)phenyl]ethanol has a molecular weight of 276.30 g/mol, XLogP of 1.89, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)ethylamino]-2-[3-(trifluoromethyl)phenyl]ethanol is sourced from PubChem (CID 61053912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).