4-(2-aminoethyl)-2-(trifluoromethoxy)phenol

C9H10F3NO2 — CID 170868556

IUPAC4-(2-aminoethyl)-2-(trifluoromethoxy)phenol
SMILESNCCc1ccc(O)c(OC(F)(F)F)c1
InChIInChI=1S/C9H10F3NO2/c10-9(11,12)15-8-5-6(3-4-13)1-2-7(8)14/h1-2,5,14H,3-4,13H2
InChIKeyKMBNKMUQSGWNOZ-UHFFFAOYSA-N
MW221.18 g/mol
LogP1.79
Rot. Bonds3

About 4-(2-aminoethyl)-2-(trifluoromethoxy)phenol

4-(2-aminoethyl)-2-(trifluoromethoxy)phenol (PubChem CID 170868556) has the molecular formula C9H10F3NO2 and a molecular weight of 221.18 g/mol. Its IUPAC name is 4-(2-aminoethyl)-2-(trifluoromethoxy)phenol.

Molecular Properties

Compound Name4-(2-aminoethyl)-2-(trifluoromethoxy)phenol
PubChem CID170868556
Molecular FormulaC9H10F3NO2
Molecular Weight221.18 g/mol
Exact Mass221.07
IUPAC Name4-(2-aminoethyl)-2-(trifluoromethoxy)phenol
SMILESNCCc1ccc(O)c(OC(F)(F)F)c1
InChIInChI=1S/C9H10F3NO2/c10-9(11,12)15-8-5-6(3-4-13)1-2-7(8)14/h1-2,5,14H,3-4,13H2
InChIKeyKMBNKMUQSGWNOZ-UHFFFAOYSA-N
XLogP1.79
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.18
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-methylbutyl)-2-(trifluoromethoxy)phenol
CID 123306584
3-[4-fluoro-3-(trifluoromethoxy)phenyl]propan-1-amine
CID 170878567
ethyl 2-[4-hydroxy-3-(trifluoromethoxy)phenyl]acetate
CID 134638973
4-chloro-2-(trifluoromethoxy)phenol
CID 58046341
4-(2-aminoethyl)benzene-1,2-diol;methane
CID 175755753
4-(2-aminoethyl)benzene-1,2-diol;nickel
CID 175198518
CID 159860777
CID 159860777
4-iodo-2-(trifluoromethoxy)phenol
CID 151053566
strontium;4-(2-aminoethyl)benzene-1,2-diol;hydride
CID 174942711
4-(2-aminoethyl)-2-(aminomethyl)phenol
CID 105433039
5-(2-aminoethyl)-2-(2-hydroxyphenyl)peroxyphenol
CID 154990277
4-(2-aminoethyl)-2-tert-butylphenol
CID 82263790

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethyl)-2-(trifluoromethoxy)phenol?
The IUPAC name of 4-(2-aminoethyl)-2-(trifluoromethoxy)phenol (CID 170868556) is 4-(2-aminoethyl)-2-(trifluoromethoxy)phenol.
What is the SMILES notation for 4-(2-aminoethyl)-2-(trifluoromethoxy)phenol?
The canonical SMILES for 4-(2-aminoethyl)-2-(trifluoromethoxy)phenol is NCCc1ccc(O)c(OC(F)(F)F)c1.
What is the InChIKey of 4-(2-aminoethyl)-2-(trifluoromethoxy)phenol?
The InChIKey is KMBNKMUQSGWNOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3NO2/c10-9(11,12)15-8-5-6(3-4-13)1-2-7(8)14/h1-2,5,14H,3-4,13H2.
What are the key properties of 4-(2-aminoethyl)-2-(trifluoromethoxy)phenol?
4-(2-aminoethyl)-2-(trifluoromethoxy)phenol has a molecular weight of 221.18 g/mol, XLogP of 1.79, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethyl)-2-(trifluoromethoxy)phenol is sourced from PubChem (CID 170868556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).