2-(1-aminopropan-2-yl)-4-chloro-6-(trifluoromethyl)phenol

C10H11ClF3NO — CID 117386945

IUPAC2-(1-aminopropan-2-yl)-4-chloro-6-(trifluoromethyl)phenol
SMILESCC(CN)c1cc(Cl)cc(C(F)(F)F)c1O
InChIInChI=1S/C10H11ClF3NO/c1-5(4-15)7-2-6(11)3-8(9(7)16)10(12,13)14/h2-3,5,16H,4,15H2,1H3
InChIKeyFMDCSIATLFBDDJ-UHFFFAOYSA-N
MW253.65 g/mol
LogP3.13
Rot. Bonds2

About 2-(1-aminopropan-2-yl)-4-chloro-6-(trifluoromethyl)phenol

2-(1-aminopropan-2-yl)-4-chloro-6-(trifluoromethyl)phenol (PubChem CID 117386945) has the molecular formula C10H11ClF3NO and a molecular weight of 253.65 g/mol. Its IUPAC name is 2-(1-aminopropan-2-yl)-4-chloro-6-(trifluoromethyl)phenol.

Molecular Properties

Compound Name2-(1-aminopropan-2-yl)-4-chloro-6-(trifluoromethyl)phenol
PubChem CID117386945
Molecular FormulaC10H11ClF3NO
Molecular Weight253.65 g/mol
Exact Mass253.05
IUPAC Name2-(1-aminopropan-2-yl)-4-chloro-6-(trifluoromethyl)phenol
SMILESCC(CN)c1cc(Cl)cc(C(F)(F)F)c1O
InChIInChI=1S/C10H11ClF3NO/c1-5(4-15)7-2-6(11)3-8(9(7)16)10(12,13)14/h2-3,5,16H,4,15H2,1H3
InChIKeyFMDCSIATLFBDDJ-UHFFFAOYSA-N
XLogP3.13
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.65
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-amino-1-hydroxyethyl)-4-chloro-6-(trifluoromethyl)phenol
CID 84708628
ethyl 2-[5-chloro-2-hydroxy-3-(trifluoromethyl)phenyl]-2-hydroxyacetate
CID 117481023
3-amino-3-[5-chloro-2-hydroxy-3-(trifluoromethyl)phenyl]propanoic acid
CID 117455854
2-(1-aminopropan-2-yl)-6-(difluoromethyl)-4-propan-2-ylphenol
CID 117359962
2-(3-aminopropyl)-4-chloro-6-(trifluoromethyl)phenol
CID 117386940
2-[1-(aminomethyl)cyclobutyl]-4-chloro-6-(trifluoromethyl)phenol
CID 117448625
4-(1-aminopropan-2-yl)-6-bromo-2-fluorobenzene-1,3-diol
CID 84807304
2-tert-butyl-4-chloro-6-(1-hydroxyethyl)phenol
CID 84692297
2-[2-chloro-6-(trifluoromethyl)phenyl]propan-1-amine
CID 117347970
1-[5-chloro-2-methoxy-3-(trifluoromethyl)phenyl]ethanamine
CID 84707984
4-chloro-2-(2-hydroxyethyl)-6-(trifluoromethyl)phenol
CID 117353847
2-(aminomethyl)-4-chloro-6-propan-2-ylphenol
CID 82265863

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminopropan-2-yl)-4-chloro-6-(trifluoromethyl)phenol?
The IUPAC name of 2-(1-aminopropan-2-yl)-4-chloro-6-(trifluoromethyl)phenol (CID 117386945) is 2-(1-aminopropan-2-yl)-4-chloro-6-(trifluoromethyl)phenol.
What is the SMILES notation for 2-(1-aminopropan-2-yl)-4-chloro-6-(trifluoromethyl)phenol?
The canonical SMILES for 2-(1-aminopropan-2-yl)-4-chloro-6-(trifluoromethyl)phenol is CC(CN)c1cc(Cl)cc(C(F)(F)F)c1O.
What is the InChIKey of 2-(1-aminopropan-2-yl)-4-chloro-6-(trifluoromethyl)phenol?
The InChIKey is FMDCSIATLFBDDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClF3NO/c1-5(4-15)7-2-6(11)3-8(9(7)16)10(12,13)14/h2-3,5,16H,4,15H2,1H3.
What are the key properties of 2-(1-aminopropan-2-yl)-4-chloro-6-(trifluoromethyl)phenol?
2-(1-aminopropan-2-yl)-4-chloro-6-(trifluoromethyl)phenol has a molecular weight of 253.65 g/mol, XLogP of 3.13, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminopropan-2-yl)-4-chloro-6-(trifluoromethyl)phenol is sourced from PubChem (CID 117386945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).