2-amino-1-[4-[[1-(trifluoromethyl)cyclopropyl]methoxy]phenyl]ethanol

C13H16F3NO2 — CID 163243558

IUPAC2-amino-1-[4-[[1-(trifluoromethyl)cyclopropyl]methoxy]phenyl]ethanol
SMILESNCC(O)c1ccc(OCC2(C(F)(F)F)CC2)cc1
InChIInChI=1S/C13H16F3NO2/c14-13(15,16)12(5-6-12)8-19-10-3-1-9(2-4-10)11(18)7-17/h1-4,11,18H,5-8,17H2
InChIKeyBZXRNHJOCZKVNZ-UHFFFAOYSA-N
MW275.27 g/mol
LogP2.40
Rot. Bonds5

About 2-amino-1-[4-[[1-(trifluoromethyl)cyclopropyl]methoxy]phenyl]ethanol

2-amino-1-[4-[[1-(trifluoromethyl)cyclopropyl]methoxy]phenyl]ethanol (PubChem CID 163243558) has the molecular formula C13H16F3NO2 and a molecular weight of 275.27 g/mol. Its IUPAC name is 2-amino-1-[4-[[1-(trifluoromethyl)cyclopropyl]methoxy]phenyl]ethanol.

Molecular Properties

Compound Name2-amino-1-[4-[[1-(trifluoromethyl)cyclopropyl]methoxy]phenyl]ethanol
PubChem CID163243558
Molecular FormulaC13H16F3NO2
Molecular Weight275.27 g/mol
Exact Mass275.11
IUPAC Name2-amino-1-[4-[[1-(trifluoromethyl)cyclopropyl]methoxy]phenyl]ethanol
SMILESNCC(O)c1ccc(OCC2(C(F)(F)F)CC2)cc1
InChIInChI=1S/C13H16F3NO2/c14-13(15,16)12(5-6-12)8-19-10-3-1-9(2-4-10)11(18)7-17/h1-4,11,18H,5-8,17H2
InChIKeyBZXRNHJOCZKVNZ-UHFFFAOYSA-N
XLogP2.40
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.27
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-1-[4-(trifluoromethoxy)phenyl]ethanol
CID 43209057
2-amino-1-[4-(2-methylpropoxy)phenyl]ethanol
CID 102533878
(1S)-2-amino-1-(4-phenoxyphenyl)ethanol
CID 39247565
2-amino-1-[4-(1-methoxycyclopropyl)phenyl]ethanol
CID 117115276
2-amino-1-[4-(1-hydroxyethyl)phenyl]ethanol
CID 117278888
1-(4-ethoxyphenyl)-4,4,4-trifluorobutan-1-ol
CID 64567192
cis-(1S,2R)-4-(aminomethyl)-4-[[4-(trifluoromethyl)phenoxy]methyl]cyclopentane-1,2-diol
CID 77059082
2-methyl-5-[[1-(trifluoromethyl)cyclopropyl]methoxy]-1-benzofuran-3-carboxylic acid
CID 170347452
2-amino-1-[4-(1-ethoxyethoxy)phenyl]ethanol
CID 11379114
1-[[4-[(1R)-1-aminoethyl]phenoxy]methyl]cyclohexan-1-ol
CID 79004891
2-amino-1-(4-methylphenyl)ethanol;ethane
CID 145260878
1-amino-3-(4-propan-2-ylphenoxy)propan-2-ol
CID 16642374

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[4-[[1-(trifluoromethyl)cyclopropyl]methoxy]phenyl]ethanol?
The IUPAC name of 2-amino-1-[4-[[1-(trifluoromethyl)cyclopropyl]methoxy]phenyl]ethanol (CID 163243558) is 2-amino-1-[4-[[1-(trifluoromethyl)cyclopropyl]methoxy]phenyl]ethanol.
What is the SMILES notation for 2-amino-1-[4-[[1-(trifluoromethyl)cyclopropyl]methoxy]phenyl]ethanol?
The canonical SMILES for 2-amino-1-[4-[[1-(trifluoromethyl)cyclopropyl]methoxy]phenyl]ethanol is NCC(O)c1ccc(OCC2(C(F)(F)F)CC2)cc1.
What is the InChIKey of 2-amino-1-[4-[[1-(trifluoromethyl)cyclopropyl]methoxy]phenyl]ethanol?
The InChIKey is BZXRNHJOCZKVNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3NO2/c14-13(15,16)12(5-6-12)8-19-10-3-1-9(2-4-10)11(18)7-17/h1-4,11,18H,5-8,17H2.
What are the key properties of 2-amino-1-[4-[[1-(trifluoromethyl)cyclopropyl]methoxy]phenyl]ethanol?
2-amino-1-[4-[[1-(trifluoromethyl)cyclopropyl]methoxy]phenyl]ethanol has a molecular weight of 275.27 g/mol, XLogP of 2.40, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[4-[[1-(trifluoromethyl)cyclopropyl]methoxy]phenyl]ethanol is sourced from PubChem (CID 163243558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).