2-(2-aminopropyl)-3-(trifluoromethyl)phenol

C10H12F3NO — CID 117311833

IUPAC2-(2-aminopropyl)-3-(trifluoromethyl)phenol
SMILESCC(N)Cc1c(O)cccc1C(F)(F)F
InChIInChI=1S/C10H12F3NO/c1-6(14)5-7-8(10(11,12)13)3-2-4-9(7)15/h2-4,6,15H,5,14H2,1H3
InChIKeyODWMHWGFBGJGHY-UHFFFAOYSA-N
MW219.21 g/mol
LogP2.30
Rot. Bonds2

About 2-(2-aminopropyl)-3-(trifluoromethyl)phenol

2-(2-aminopropyl)-3-(trifluoromethyl)phenol (PubChem CID 117311833) has the molecular formula C10H12F3NO and a molecular weight of 219.21 g/mol. Its IUPAC name is 2-(2-aminopropyl)-3-(trifluoromethyl)phenol.

Molecular Properties

Compound Name2-(2-aminopropyl)-3-(trifluoromethyl)phenol
PubChem CID117311833
Molecular FormulaC10H12F3NO
Molecular Weight219.21 g/mol
Exact Mass219.09
IUPAC Name2-(2-aminopropyl)-3-(trifluoromethyl)phenol
SMILESCC(N)Cc1c(O)cccc1C(F)(F)F
InChIInChI=1S/C10H12F3NO/c1-6(14)5-7-8(10(11,12)13)3-2-4-9(7)15/h2-4,6,15H,5,14H2,1H3
InChIKeyODWMHWGFBGJGHY-UHFFFAOYSA-N
XLogP2.30
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.21
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-aminopropyl)-3-(trifluoromethyl)phenol
CID 117311849
2-(2-hydroxypropyl)-6-(trifluoromethyl)phenol
CID 117313740
3-[2-hydroxy-6-(trifluoromethyl)phenyl]propanal
CID 117310513
1-[2-(trifluoromethyl)phenyl]butane-2,3-diol
CID 175401448
[2,6-bis(trifluoromethyl)phenyl]methanol
CID 15346431
(1S,2S)-1-amino-1-[2-(trifluoromethyl)phenyl]propan-2-ol
CID 131376163
2-[(1R)-1-amino-2-hydroxyethyl]-6-(trifluoromethyl)phenol
CID 66514473
2-butan-2-yl-6-(trifluoromethyl)phenol
CID 10214490
2-[(1S)-1,2-diaminoethyl]-6-(trifluoromethyl)phenol
CID 66517650
(1S,2R)-1-amino-1-[2-fluoro-3-(trifluoromethyl)phenyl]propan-2-ol
CID 118021056
(1R,2S)-1-amino-1-[2-fluoro-3-(trifluoromethyl)phenyl]propan-2-ol
CID 131342420
methyl 2-amino-6-[2,6-bis(trifluoromethyl)phenyl]-4-methylhexanoate
CID 174498077

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminopropyl)-3-(trifluoromethyl)phenol?
The IUPAC name of 2-(2-aminopropyl)-3-(trifluoromethyl)phenol (CID 117311833) is 2-(2-aminopropyl)-3-(trifluoromethyl)phenol.
What is the SMILES notation for 2-(2-aminopropyl)-3-(trifluoromethyl)phenol?
The canonical SMILES for 2-(2-aminopropyl)-3-(trifluoromethyl)phenol is CC(N)Cc1c(O)cccc1C(F)(F)F.
What is the InChIKey of 2-(2-aminopropyl)-3-(trifluoromethyl)phenol?
The InChIKey is ODWMHWGFBGJGHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3NO/c1-6(14)5-7-8(10(11,12)13)3-2-4-9(7)15/h2-4,6,15H,5,14H2,1H3.
What are the key properties of 2-(2-aminopropyl)-3-(trifluoromethyl)phenol?
2-(2-aminopropyl)-3-(trifluoromethyl)phenol has a molecular weight of 219.21 g/mol, XLogP of 2.30, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminopropyl)-3-(trifluoromethyl)phenol is sourced from PubChem (CID 117311833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).