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

C10H12F3NO — CID 117311849

IUPAC2-(3-aminopropyl)-3-(trifluoromethyl)phenol
SMILESNCCCc1c(O)cccc1C(F)(F)F
InChIInChI=1S/C10H12F3NO/c11-10(12,13)8-4-1-5-9(15)7(8)3-2-6-14/h1,4-5,15H,2-3,6,14H2
InChIKeyRSCCRZVAQZTTAU-UHFFFAOYSA-N
MW219.21 g/mol
LogP2.30
Rot. Bonds3

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

2-(3-aminopropyl)-3-(trifluoromethyl)phenol (PubChem CID 117311849) has the molecular formula C10H12F3NO and a molecular weight of 219.21 g/mol. Its IUPAC name is 2-(3-aminopropyl)-3-(trifluoromethyl)phenol.

Molecular Properties

Compound Name2-(3-aminopropyl)-3-(trifluoromethyl)phenol
PubChem CID117311849
Molecular FormulaC10H12F3NO
Molecular Weight219.21 g/mol
Exact Mass219.09
IUPAC Name2-(3-aminopropyl)-3-(trifluoromethyl)phenol
SMILESNCCCc1c(O)cccc1C(F)(F)F
InChIInChI=1S/C10H12F3NO/c11-10(12,13)8-4-1-5-9(15)7(8)3-2-6-14/h1,4-5,15H,2-3,6,14H2
InChIKeyRSCCRZVAQZTTAU-UHFFFAOYSA-N
XLogP2.30
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
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

m-Tyramine
CID 11492
o-Tyramine
CID 74865
3-(2-Aminopropyl)phenol
CID 102551
5-Hydroxy-2-aminotetralin
CID 125156
3-(2-Azaniumylethyl)phenolate
CID 59111271
4-(2-Aminoethyl)-3,5-difluorophenol
CID 44578415
Gepefrine
CID 219105
2-(2-Aminopropyl)phenol
CID 541960
(+)-O-Desmethyl-N,N-bisdesmethyl Tramadol
CID 10220107
3-(2-Aminoethyl)phenol hydrochloride
CID 77001
2-Dipropylamino-1,2,3,4-tetrahydro-naphthalene-1,8-diol
CID 44364048
2-[(1S,2S)-2-(aminomethyl)cyclopropyl]phenol;hydrochloride
CID 44572760

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminopropyl)-3-(trifluoromethyl)phenol?
The IUPAC name of 2-(3-aminopropyl)-3-(trifluoromethyl)phenol (CID 117311849) is 2-(3-aminopropyl)-3-(trifluoromethyl)phenol.
What is the SMILES notation for 2-(3-aminopropyl)-3-(trifluoromethyl)phenol?
The canonical SMILES for 2-(3-aminopropyl)-3-(trifluoromethyl)phenol is NCCCc1c(O)cccc1C(F)(F)F.
What is the InChIKey of 2-(3-aminopropyl)-3-(trifluoromethyl)phenol?
The InChIKey is RSCCRZVAQZTTAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3NO/c11-10(12,13)8-4-1-5-9(15)7(8)3-2-6-14/h1,4-5,15H,2-3,6,14H2.
What are the key properties of 2-(3-aminopropyl)-3-(trifluoromethyl)phenol?
2-(3-aminopropyl)-3-(trifluoromethyl)phenol has a molecular weight of 219.21 g/mol, XLogP of 2.30, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminopropyl)-3-(trifluoromethyl)phenol is sourced from PubChem (CID 117311849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).