2-(propan-2-ylamino)-1-[4-(trifluoromethyl)phenyl]ethanol

C12H16F3NO — CID 60903377

IUPAC2-(propan-2-ylamino)-1-[4-(trifluoromethyl)phenyl]ethanol
SMILESCC(C)NCC(O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C12H16F3NO/c1-8(2)16-7-11(17)9-3-5-10(6-4-9)12(13,14)15/h3-6,8,11,16-17H,7H2,1-2H3
InChIKeyHBWGZDNIRZHYTB-UHFFFAOYSA-N
MW247.26 g/mol
LogP2.74
Rot. Bonds4

About 2-(propan-2-ylamino)-1-[4-(trifluoromethyl)phenyl]ethanol

2-(propan-2-ylamino)-1-[4-(trifluoromethyl)phenyl]ethanol (PubChem CID 60903377) has the molecular formula C12H16F3NO and a molecular weight of 247.26 g/mol. Its IUPAC name is 2-(propan-2-ylamino)-1-[4-(trifluoromethyl)phenyl]ethanol.

Molecular Properties

Compound Name2-(propan-2-ylamino)-1-[4-(trifluoromethyl)phenyl]ethanol
PubChem CID60903377
Molecular FormulaC12H16F3NO
Molecular Weight247.26 g/mol
Exact Mass247.12
IUPAC Name2-(propan-2-ylamino)-1-[4-(trifluoromethyl)phenyl]ethanol
SMILESCC(C)NCC(O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C12H16F3NO/c1-8(2)16-7-11(17)9-3-5-10(6-4-9)12(13,14)15/h3-6,8,11,16-17H,7H2,1-2H3
InChIKeyHBWGZDNIRZHYTB-UHFFFAOYSA-N
XLogP2.74
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 ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 7028
Ephedrine
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Ephedrine Hydrochloride
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Cathine
CID 441457
Pseudoephedrine Hydrochloride
CID 9581
Pronethalol
CID 4930
Phenylpropanolamine Hydrochloride
CID 62943
N-Methylephedrine
CID 4374
DL-Ephedrine
CID 5032
Methylephedrine
CID 64782
(-)-Norpseudoephedrine
CID 162265

Frequently Asked Questions

What is the IUPAC name of 2-(propan-2-ylamino)-1-[4-(trifluoromethyl)phenyl]ethanol?
The IUPAC name of 2-(propan-2-ylamino)-1-[4-(trifluoromethyl)phenyl]ethanol (CID 60903377) is 2-(propan-2-ylamino)-1-[4-(trifluoromethyl)phenyl]ethanol.
What is the SMILES notation for 2-(propan-2-ylamino)-1-[4-(trifluoromethyl)phenyl]ethanol?
The canonical SMILES for 2-(propan-2-ylamino)-1-[4-(trifluoromethyl)phenyl]ethanol is CC(C)NCC(O)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-(propan-2-ylamino)-1-[4-(trifluoromethyl)phenyl]ethanol?
The InChIKey is HBWGZDNIRZHYTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3NO/c1-8(2)16-7-11(17)9-3-5-10(6-4-9)12(13,14)15/h3-6,8,11,16-17H,7H2,1-2H3.
What are the key properties of 2-(propan-2-ylamino)-1-[4-(trifluoromethyl)phenyl]ethanol?
2-(propan-2-ylamino)-1-[4-(trifluoromethyl)phenyl]ethanol has a molecular weight of 247.26 g/mol, XLogP of 2.74, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(propan-2-ylamino)-1-[4-(trifluoromethyl)phenyl]ethanol is sourced from PubChem (CID 60903377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).