2-[[propyl(2,2,2-trifluoroethyl)amino]methyl]phenol

C12H16F3NO — CID 78924660

IUPAC2-[[propyl(2,2,2-trifluoroethyl)amino]methyl]phenol
SMILESCCCN(Cc1ccccc1O)CC(F)(F)F
InChIInChI=1S/C12H16F3NO/c1-2-7-16(9-12(13,14)15)8-10-5-3-4-6-11(10)17/h3-6,17H,2,7-9H2,1H3
InChIKeySNAHRJGFPVNHRN-UHFFFAOYSA-N
MW247.26 g/mol
LogP3.17
Rot. Bonds5

About 2-[[propyl(2,2,2-trifluoroethyl)amino]methyl]phenol

2-[[propyl(2,2,2-trifluoroethyl)amino]methyl]phenol (PubChem CID 78924660) has the molecular formula C12H16F3NO and a molecular weight of 247.26 g/mol. Its IUPAC name is 2-[[propyl(2,2,2-trifluoroethyl)amino]methyl]phenol.

Molecular Properties

Compound Name2-[[propyl(2,2,2-trifluoroethyl)amino]methyl]phenol
PubChem CID78924660
Molecular FormulaC12H16F3NO
Molecular Weight247.26 g/mol
Exact Mass247.12
IUPAC Name2-[[propyl(2,2,2-trifluoroethyl)amino]methyl]phenol
SMILESCCCN(Cc1ccccc1O)CC(F)(F)F
InChIInChI=1S/C12H16F3NO/c1-2-7-16(9-12(13,14)15)8-10-5-3-4-6-11(10)17/h3-6,17H,2,7-9H2,1H3
InChIKeySNAHRJGFPVNHRN-UHFFFAOYSA-N
XLogP3.17
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.26
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-[[propyl(2,2,2-trifluoroethyl)amino]methyl]aniline
CID 43459900
2-fluoro-3-[[propyl(2,2,2-trifluoroethyl)amino]methyl]aniline
CID 107347369
2-bromo-3-[[(2-hydroxyphenyl)methyl-propylamino]methyl]phenol
CID 154877813
2-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]phenol
CID 82981726
[5-[[propyl(2,2,2-trifluoroethyl)amino]methyl]furan-2-yl]methanol
CID 112548849
ethane;2-[[[3-[(2-hydroxyphenyl)methyl-methylamino]-2,3-dimethylbutan-2-yl]-methylamino]methyl]phenol
CID 167677663
3-[[propyl(2,2,2-trifluoroethyl)amino]methyl]thiophene-2-carbohydrazide
CID 63639704
N-[[4-(aminomethyl)-2-methylphenyl]methyl]-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 114478730
2-[[propan-2-yl(propyl)amino]methyl]phenol
CID 79038025
2-bromo-6-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]phenol
CID 82982350
2-chloro-6-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]phenol
CID 112553506
N-[[6-(ethylaminomethyl)-2-pyridinyl]methyl]-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 106906050

Frequently Asked Questions

What is the IUPAC name of 2-[[propyl(2,2,2-trifluoroethyl)amino]methyl]phenol?
The IUPAC name of 2-[[propyl(2,2,2-trifluoroethyl)amino]methyl]phenol (CID 78924660) is 2-[[propyl(2,2,2-trifluoroethyl)amino]methyl]phenol.
What is the SMILES notation for 2-[[propyl(2,2,2-trifluoroethyl)amino]methyl]phenol?
The canonical SMILES for 2-[[propyl(2,2,2-trifluoroethyl)amino]methyl]phenol is CCCN(Cc1ccccc1O)CC(F)(F)F.
What is the InChIKey of 2-[[propyl(2,2,2-trifluoroethyl)amino]methyl]phenol?
The InChIKey is SNAHRJGFPVNHRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3NO/c1-2-7-16(9-12(13,14)15)8-10-5-3-4-6-11(10)17/h3-6,17H,2,7-9H2,1H3.
What are the key properties of 2-[[propyl(2,2,2-trifluoroethyl)amino]methyl]phenol?
2-[[propyl(2,2,2-trifluoroethyl)amino]methyl]phenol has a molecular weight of 247.26 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[propyl(2,2,2-trifluoroethyl)amino]methyl]phenol is sourced from PubChem (CID 78924660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).