3-[benzyl-[[6-(trifluoromethyl)-3-pyridinyl]methyl]amino]-2-methylpropan-1-ol

C18H21F3N2O — CID 46991947

IUPAC3-[benzyl-[[6-(trifluoromethyl)-3-pyridinyl]methyl]amino]-2-methylpropan-1-ol
SMILESCC(CO)CN(Cc1ccccc1)Cc1ccc(C(F)(F)F)nc1
InChIInChI=1S/C18H21F3N2O/c1-14(13-24)10-23(11-15-5-3-2-4-6-15)12-16-7-8-17(22-9-16)18(19,20)21/h2-9,14,24H,10-13H2,1H3
InChIKeyXORHCONOETYOAX-UHFFFAOYSA-N
MW338.37 g/mol
LogP3.73
Rot. Bonds7

About 3-[benzyl-[[6-(trifluoromethyl)-3-pyridinyl]methyl]amino]-2-methylpropan-1-ol

3-[benzyl-[[6-(trifluoromethyl)-3-pyridinyl]methyl]amino]-2-methylpropan-1-ol (PubChem CID 46991947) has the molecular formula C18H21F3N2O and a molecular weight of 338.37 g/mol. Its IUPAC name is 3-[benzyl-[[6-(trifluoromethyl)-3-pyridinyl]methyl]amino]-2-methylpropan-1-ol.

Molecular Properties

Compound Name3-[benzyl-[[6-(trifluoromethyl)-3-pyridinyl]methyl]amino]-2-methylpropan-1-ol
PubChem CID46991947
Molecular FormulaC18H21F3N2O
Molecular Weight338.37 g/mol
Exact Mass338.16
IUPAC Name3-[benzyl-[[6-(trifluoromethyl)-3-pyridinyl]methyl]amino]-2-methylpropan-1-ol
SMILESCC(CO)CN(Cc1ccccc1)Cc1ccc(C(F)(F)F)nc1
InChIInChI=1S/C18H21F3N2O/c1-14(13-24)10-23(11-15-5-3-2-4-6-15)12-16-7-8-17(22-9-16)18(19,20)21/h2-9,14,24H,10-13H2,1H3
InChIKeyXORHCONOETYOAX-UHFFFAOYSA-N
XLogP3.73
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[benzyl-[[6-(trifluoromethyl)-3-pyridinyl]methyl]amino]-2-methylpropan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Pheniramine
CID 4761
5-Ethyl-2-pyridineethanol
CID 78894
2-(4-(Dimethylamino)styryl)pyridine
CID 5376425
Pheniramine N-oxide
CID 222605
Lopac-P-6902
CID 667440
2-(3-Methylpyridin-2-yl)ethan-1-ol
CID 14546493
2-(4-(Dimethylamino)styryl)-1-methylpyridinium
CID 5463011
2-[1-(2-Phenylethyl)-4-(pyridin-3-ylmethyl)piperazin-2-yl]ethanol
CID 16189129
2-{2-[4-(Dimethylamino)phenyl]ethenyl}-1-ethylpyridin-1-ium
CID 2957
N-methyl-N-(4-methylbenzyl)-2-(2-pyridinyl)ethanamine
CID 768447
4-[2-(1-hexylpyridin-1-ium-2-yl)ethenyl]-N,N-dimethylaniline
CID 2824731
N,N-diethyl-4-[2-(1-ethylpyridin-1-ium-2-yl)ethenyl]aniline
CID 5043404

Frequently Asked Questions

What is the IUPAC name of 3-[benzyl-[[6-(trifluoromethyl)-3-pyridinyl]methyl]amino]-2-methylpropan-1-ol?
The IUPAC name of 3-[benzyl-[[6-(trifluoromethyl)-3-pyridinyl]methyl]amino]-2-methylpropan-1-ol (CID 46991947) is 3-[benzyl-[[6-(trifluoromethyl)-3-pyridinyl]methyl]amino]-2-methylpropan-1-ol.
What is the SMILES notation for 3-[benzyl-[[6-(trifluoromethyl)-3-pyridinyl]methyl]amino]-2-methylpropan-1-ol?
The canonical SMILES for 3-[benzyl-[[6-(trifluoromethyl)-3-pyridinyl]methyl]amino]-2-methylpropan-1-ol is CC(CO)CN(Cc1ccccc1)Cc1ccc(C(F)(F)F)nc1.
What is the InChIKey of 3-[benzyl-[[6-(trifluoromethyl)-3-pyridinyl]methyl]amino]-2-methylpropan-1-ol?
The InChIKey is XORHCONOETYOAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F3N2O/c1-14(13-24)10-23(11-15-5-3-2-4-6-15)12-16-7-8-17(22-9-16)18(19,20)21/h2-9,14,24H,10-13H2,1H3.
What are the key properties of 3-[benzyl-[[6-(trifluoromethyl)-3-pyridinyl]methyl]amino]-2-methylpropan-1-ol?
3-[benzyl-[[6-(trifluoromethyl)-3-pyridinyl]methyl]amino]-2-methylpropan-1-ol has a molecular weight of 338.37 g/mol, XLogP of 3.73, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[benzyl-[[6-(trifluoromethyl)-3-pyridinyl]methyl]amino]-2-methylpropan-1-ol is sourced from PubChem (CID 46991947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).