2-(morpholin-4-ylamino)-1-[3-(trifluoromethyl)phenyl]ethanol

C13H17F3N2O2 — CID 83021159

IUPAC2-(morpholin-4-ylamino)-1-[3-(trifluoromethyl)phenyl]ethanol
SMILESOC(CNN1CCOCC1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H17F3N2O2/c14-13(15,16)11-3-1-2-10(8-11)12(19)9-17-18-4-6-20-7-5-18/h1-3,8,12,17,19H,4-7,9H2
InChIKeyAOBGKAKGTDDTBA-UHFFFAOYSA-N
MW290.28 g/mol
LogP1.58
Rot. Bonds4

About 2-(morpholin-4-ylamino)-1-[3-(trifluoromethyl)phenyl]ethanol

2-(morpholin-4-ylamino)-1-[3-(trifluoromethyl)phenyl]ethanol (PubChem CID 83021159) has the molecular formula C13H17F3N2O2 and a molecular weight of 290.28 g/mol. Its IUPAC name is 2-(morpholin-4-ylamino)-1-[3-(trifluoromethyl)phenyl]ethanol.

Molecular Properties

Compound Name2-(morpholin-4-ylamino)-1-[3-(trifluoromethyl)phenyl]ethanol
PubChem CID83021159
Molecular FormulaC13H17F3N2O2
Molecular Weight290.28 g/mol
Exact Mass290.12
IUPAC Name2-(morpholin-4-ylamino)-1-[3-(trifluoromethyl)phenyl]ethanol
SMILESOC(CNN1CCOCC1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H17F3N2O2/c14-13(15,16)11-3-1-2-10(8-11)12(19)9-17-18-4-6-20-7-5-18/h1-3,8,12,17,19H,4-7,9H2
InChIKeyAOBGKAKGTDDTBA-UHFFFAOYSA-N
XLogP1.58
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.28
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(1R)-2-[(2-morpholin-4-ylpyrimidin-5-yl)methylamino]-1-[3-(trifluoromethyl)phenyl]ethanol
CID 124549015
2-(propan-2-ylamino)-1-[3-(trifluoromethyl)phenyl]ethanol
CID 60903667
2-morpholin-4-yl-2-[3-(trifluoromethyl)phenyl]ethanol
CID 54775900
3-morpholin-4-yl-2-[3-(trifluoromethyl)phenyl]propan-1-ol
CID 117242900
3,3-dimethyl-1-[3-(trifluoromethyl)phenyl]butan-1-ol
CID 63890426
3-morpholin-4-yl-2-[3-(trifluoromethyl)phenyl]propanoic acid
CID 117243283
2-(furan-3-ylmethylamino)-1-[3-(trifluoromethyl)phenyl]ethanol
CID 115618244
2-[(4-bromothiophen-2-yl)methylamino]-1-[3-(trifluoromethyl)phenyl]ethanol
CID 60969473
2-amino-1-[3-(trifluoromethyl)phenyl]ethanol
CID 30514
2-(1-methoxypropan-2-ylamino)-1-[3-(trifluoromethyl)phenyl]ethanol
CID 60897467
(1S)-2-morpholin-4-yl-1-[4-[3-(trifluoromethyl)phenyl]phenyl]ethanol
CID 126444747
(2S)-2-morpholin-4-yl-2-[3-(trifluoromethyl)phenyl]acetonitrile
CID 1487174

Frequently Asked Questions

What is the IUPAC name of 2-(morpholin-4-ylamino)-1-[3-(trifluoromethyl)phenyl]ethanol?
The IUPAC name of 2-(morpholin-4-ylamino)-1-[3-(trifluoromethyl)phenyl]ethanol (CID 83021159) is 2-(morpholin-4-ylamino)-1-[3-(trifluoromethyl)phenyl]ethanol.
What is the SMILES notation for 2-(morpholin-4-ylamino)-1-[3-(trifluoromethyl)phenyl]ethanol?
The canonical SMILES for 2-(morpholin-4-ylamino)-1-[3-(trifluoromethyl)phenyl]ethanol is OC(CNN1CCOCC1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-(morpholin-4-ylamino)-1-[3-(trifluoromethyl)phenyl]ethanol?
The InChIKey is AOBGKAKGTDDTBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2O2/c14-13(15,16)11-3-1-2-10(8-11)12(19)9-17-18-4-6-20-7-5-18/h1-3,8,12,17,19H,4-7,9H2.
What are the key properties of 2-(morpholin-4-ylamino)-1-[3-(trifluoromethyl)phenyl]ethanol?
2-(morpholin-4-ylamino)-1-[3-(trifluoromethyl)phenyl]ethanol has a molecular weight of 290.28 g/mol, XLogP of 1.58, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(morpholin-4-ylamino)-1-[3-(trifluoromethyl)phenyl]ethanol is sourced from PubChem (CID 83021159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).