2-(ethylamino)-2-[3-(trifluoromethyl)phenyl]propan-1-ol

C12H16F3NO — CID 61050689

IUPAC2-(ethylamino)-2-[3-(trifluoromethyl)phenyl]propan-1-ol
SMILESCCNC(C)(CO)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C12H16F3NO/c1-3-16-11(2,8-17)9-5-4-6-10(7-9)12(13,14)15/h4-7,16-17H,3,8H2,1-2H3
InChIKeyGLHNCQGSADSMCU-UHFFFAOYSA-N
MW247.26 g/mol
LogP2.52
Rot. Bonds4

About 2-(ethylamino)-2-[3-(trifluoromethyl)phenyl]propan-1-ol

2-(ethylamino)-2-[3-(trifluoromethyl)phenyl]propan-1-ol (PubChem CID 61050689) has the molecular formula C12H16F3NO and a molecular weight of 247.26 g/mol. Its IUPAC name is 2-(ethylamino)-2-[3-(trifluoromethyl)phenyl]propan-1-ol.

Molecular Properties

Compound Name2-(ethylamino)-2-[3-(trifluoromethyl)phenyl]propan-1-ol
PubChem CID61050689
Molecular FormulaC12H16F3NO
Molecular Weight247.26 g/mol
Exact Mass247.12
IUPAC Name2-(ethylamino)-2-[3-(trifluoromethyl)phenyl]propan-1-ol
SMILESCCNC(C)(CO)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C12H16F3NO/c1-3-16-11(2,8-17)9-5-4-6-10(7-9)12(13,14)15/h4-7,16-17H,3,8H2,1-2H3
InChIKeyGLHNCQGSADSMCU-UHFFFAOYSA-N
XLogP2.52
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.26
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(ethylamino)-3-[3-(trifluoromethyl)phenyl]butanamide
CID 65234342
(2R)-2-amino-2-[3-(trifluoromethyl)phenyl]propan-1-ol;hydrochloride
CID 66678514
2-(ethylamino)-2-(4-methylphenyl)propan-1-ol
CID 61048119
CID 145487345
CID 145487345
(2S)-2-amino-2-[3-(trifluoromethyl)phenyl]butan-1-ol
CID 174186051
1-[1,1-bis[3-(trifluoromethyl)phenyl]propyl]-3-(trifluoromethyl)benzene
CID 158487114
2-[[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]amino]-2-methylbutan-1-ol
CID 64548724
2-(propylamino)-2-[3-(trifluoromethyl)phenyl]propanamide
CID 60796923
2-methyl-2-[[3-(trifluoromethyl)phenyl]methyl]pentan-1-ol
CID 66025237
1-[1-hydroxy-2-[3-(trifluoromethyl)phenyl]propan-2-yl]-3-(1H-indol-7-yl)urea
CID 166223789
tert-butyl-[(2R)-1-hydroxy-2-[3-(trifluoromethyl)phenyl]propan-2-yl]carbamic acid
CID 66678385
1-[2-methyl-1-[2-methyl-2-[3-(trifluoromethyl)phenyl]propoxy]propan-2-yl]-3-(trifluoromethyl)benzene
CID 57305563

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-2-[3-(trifluoromethyl)phenyl]propan-1-ol?
The IUPAC name of 2-(ethylamino)-2-[3-(trifluoromethyl)phenyl]propan-1-ol (CID 61050689) is 2-(ethylamino)-2-[3-(trifluoromethyl)phenyl]propan-1-ol.
What is the SMILES notation for 2-(ethylamino)-2-[3-(trifluoromethyl)phenyl]propan-1-ol?
The canonical SMILES for 2-(ethylamino)-2-[3-(trifluoromethyl)phenyl]propan-1-ol is CCNC(C)(CO)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-(ethylamino)-2-[3-(trifluoromethyl)phenyl]propan-1-ol?
The InChIKey is GLHNCQGSADSMCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3NO/c1-3-16-11(2,8-17)9-5-4-6-10(7-9)12(13,14)15/h4-7,16-17H,3,8H2,1-2H3.
What are the key properties of 2-(ethylamino)-2-[3-(trifluoromethyl)phenyl]propan-1-ol?
2-(ethylamino)-2-[3-(trifluoromethyl)phenyl]propan-1-ol has a molecular weight of 247.26 g/mol, XLogP of 2.52, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-2-[3-(trifluoromethyl)phenyl]propan-1-ol is sourced from PubChem (CID 61050689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).