2-(2-aminopropyl)-4-(trifluoromethoxy)phenol

C10H12F3NO2 — CID 170890931

IUPAC2-(2-aminopropyl)-4-(trifluoromethoxy)phenol
SMILESCC(N)Cc1cc(OC(F)(F)F)ccc1O
InChIInChI=1S/C10H12F3NO2/c1-6(14)4-7-5-8(2-3-9(7)15)16-10(11,12)13/h2-3,5-6,15H,4,14H2,1H3
InChIKeyLAAAQKRAUOXUSY-UHFFFAOYSA-N
MW235.21 g/mol
LogP2.18
Rot. Bonds3

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

2-(2-aminopropyl)-4-(trifluoromethoxy)phenol (PubChem CID 170890931) has the molecular formula C10H12F3NO2 and a molecular weight of 235.21 g/mol. Its IUPAC name is 2-(2-aminopropyl)-4-(trifluoromethoxy)phenol.

Molecular Properties

Compound Name2-(2-aminopropyl)-4-(trifluoromethoxy)phenol
PubChem CID170890931
Molecular FormulaC10H12F3NO2
Molecular Weight235.21 g/mol
Exact Mass235.08
IUPAC Name2-(2-aminopropyl)-4-(trifluoromethoxy)phenol
SMILESCC(N)Cc1cc(OC(F)(F)F)ccc1O
InChIInChI=1S/C10H12F3NO2/c1-6(14)4-7-5-8(2-3-9(7)15)16-10(11,12)13/h2-3,5-6,15H,4,14H2,1H3
InChIKeyLAAAQKRAUOXUSY-UHFFFAOYSA-N
XLogP2.18
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.21
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(hydroxymethyl)-4-(trifluoromethoxy)phenol
CID 11694149
2-[(1R)-1-amino-4-methylpentyl]-4-(trifluoromethoxy)phenol
CID 171210157
2-[(1R)-1-amino-3-hydroxypropyl]-4-(trifluoromethoxy)phenol
CID 171210164
2-[(1S)-1-amino-2,2-dimethylpropyl]-4-(trifluoromethoxy)phenol
CID 171243087
2-[(1S)-1-amino-3-hydroxypropyl]-4-(trifluoromethoxy)phenol;hydrochloride
CID 171229770
2-[(1R,2S)-1-amino-2-hydroxy-3-methylbutyl]-4-(trifluoromethoxy)phenol
CID 171264165
[2-(2-methylpropyl)-4-(trifluoromethoxy)phenyl]boronic acid
CID 59446372
5-[2-methyl-5-(trifluoromethoxy)phenyl]pentan-2-amine
CID 89494915
2-[(1R)-1-amino-3-fluoropropyl]-4-(trifluoromethoxy)phenol;hydrochloride
CID 171210138
2-[(1R)-1-amino-4,4,4-trifluorobutyl]-4-(trifluoromethoxy)phenol
CID 171210135
2-[(1R)-1-amino-3-methylbut-3-enyl]-4-(trifluoromethoxy)phenol;hydrochloride
CID 171210154
2-[(1R)-1-amino-4-hydroxybutyl]-4-(trifluoromethoxy)phenol;hydrochloride
CID 171210167

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminopropyl)-4-(trifluoromethoxy)phenol?
The IUPAC name of 2-(2-aminopropyl)-4-(trifluoromethoxy)phenol (CID 170890931) is 2-(2-aminopropyl)-4-(trifluoromethoxy)phenol.
What is the SMILES notation for 2-(2-aminopropyl)-4-(trifluoromethoxy)phenol?
The canonical SMILES for 2-(2-aminopropyl)-4-(trifluoromethoxy)phenol is CC(N)Cc1cc(OC(F)(F)F)ccc1O.
What is the InChIKey of 2-(2-aminopropyl)-4-(trifluoromethoxy)phenol?
The InChIKey is LAAAQKRAUOXUSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3NO2/c1-6(14)4-7-5-8(2-3-9(7)15)16-10(11,12)13/h2-3,5-6,15H,4,14H2,1H3.
What are the key properties of 2-(2-aminopropyl)-4-(trifluoromethoxy)phenol?
2-(2-aminopropyl)-4-(trifluoromethoxy)phenol has a molecular weight of 235.21 g/mol, XLogP of 2.18, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminopropyl)-4-(trifluoromethoxy)phenol is sourced from PubChem (CID 170890931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).