2-[[4-(hydroxymethyl)phenyl]methylamino]-N-(2,2,2-trifluoroethyl)propanamide

C13H17F3N2O2 — CID 107231004

IUPAC2-[[4-(hydroxymethyl)phenyl]methylamino]-N-(2,2,2-trifluoroethyl)propanamide
SMILESCC(NCc1ccc(CO)cc1)C(=O)NCC(F)(F)F
InChIInChI=1S/C13H17F3N2O2/c1-9(12(20)18-8-13(14,15)16)17-6-10-2-4-11(7-19)5-3-10/h2-5,9,17,19H,6-8H2,1H3,(H,18,20)
InChIKeyDOLFCCALIGPYRS-UHFFFAOYSA-N
MW290.29 g/mol
LogP1.34
Rot. Bonds6

About 2-[[4-(hydroxymethyl)phenyl]methylamino]-N-(2,2,2-trifluoroethyl)propanamide

2-[[4-(hydroxymethyl)phenyl]methylamino]-N-(2,2,2-trifluoroethyl)propanamide (PubChem CID 107231004) has the molecular formula C13H17F3N2O2 and a molecular weight of 290.29 g/mol. Its IUPAC name is 2-[[4-(hydroxymethyl)phenyl]methylamino]-N-(2,2,2-trifluoroethyl)propanamide.

Molecular Properties

Compound Name2-[[4-(hydroxymethyl)phenyl]methylamino]-N-(2,2,2-trifluoroethyl)propanamide
PubChem CID107231004
Molecular FormulaC13H17F3N2O2
Molecular Weight290.29 g/mol
Exact Mass290.12
IUPAC Name2-[[4-(hydroxymethyl)phenyl]methylamino]-N-(2,2,2-trifluoroethyl)propanamide
SMILESCC(NCc1ccc(CO)cc1)C(=O)NCC(F)(F)F
InChIInChI=1S/C13H17F3N2O2/c1-9(12(20)18-8-13(14,15)16)17-6-10-2-4-11(7-19)5-3-10/h2-5,9,17,19H,6-8H2,1H3,(H,18,20)
InChIKeyDOLFCCALIGPYRS-UHFFFAOYSA-N
XLogP1.34
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.29
LogP ≤ 51.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-[[4-(hydroxymethyl)phenyl]methylamino]-N-(2,2,2-trifluoroethyl)propanamide 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

MK-0674
CID 16666183
(2S)-N-(1-cyanocyclopropyl)-2-[[(1S)-1-[4-[4-[(1S)-2,2-difluoro-1-hydroxyethyl]phenyl]phenyl]-2,2,2-trifluoroethyl]amino]-4-fluoro-4-methylpentanamide
CID 46216820
(2S)-N-[(1S)-1-cyano-2-phenylethyl]-2-[[(1S)-1-[4-[4-[(1R)-2,2-difluoro-1-hydroxyethyl]phenyl]phenyl]-2,2,2-trifluoroethyl]amino]-4-fluoro-4-methylpentanamide
CID 42633691
(2S)-N-(1-cyanocyclopropyl)-2-[[(1S)-1-[4-[4-[(1S)-1-deuterio-2,2-difluoro-1-hydroxyethyl]phenyl]phenyl]-2,2,2-trifluoroethyl]amino]-4-fluoro-4-methylpentanamide
CID 46231479
(2S)-N-(1-cyanocyclopropyl)-2-[[(1S)-1-[4-[4-[(1R)-1-deuterio-2,2-difluoro-1-hydroxyethyl]phenyl]phenyl]-2,2,2-trifluoroethyl]amino]-4-fluoro-4-methylpentanamide
CID 46231536
N-[2-[[2-hydroxy-2-(4-methylphenyl)ethyl]amino]ethyl]propanamide
CID 22769472
N-(4-Hydroxymethylbenzyl)trifluoroacetamide
CID 15852209
N-{2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl}-N'-(1-phenylethyl)ethanediamide
CID 56765501
N1-(2-(cyclohex-1-en-1-yl)ethyl)-N2-(2-hydroxy-2-(4-(trifluoromethyl)phenyl)ethyl)oxalamide
CID 56765504
(2S)-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-2-(prop-2-enylamino)pent-4-enamide
CID 51003256
N-[hydroxy(phenyl)methyl]acetamide
CID 18363668
N-(2-hydroxy-2-(4-(trifluoromethyl)phenyl)ethyl)pivalamide
CID 56765422

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(hydroxymethyl)phenyl]methylamino]-N-(2,2,2-trifluoroethyl)propanamide?
The IUPAC name of 2-[[4-(hydroxymethyl)phenyl]methylamino]-N-(2,2,2-trifluoroethyl)propanamide (CID 107231004) is 2-[[4-(hydroxymethyl)phenyl]methylamino]-N-(2,2,2-trifluoroethyl)propanamide.
What is the SMILES notation for 2-[[4-(hydroxymethyl)phenyl]methylamino]-N-(2,2,2-trifluoroethyl)propanamide?
The canonical SMILES for 2-[[4-(hydroxymethyl)phenyl]methylamino]-N-(2,2,2-trifluoroethyl)propanamide is CC(NCc1ccc(CO)cc1)C(=O)NCC(F)(F)F.
What is the InChIKey of 2-[[4-(hydroxymethyl)phenyl]methylamino]-N-(2,2,2-trifluoroethyl)propanamide?
The InChIKey is DOLFCCALIGPYRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2O2/c1-9(12(20)18-8-13(14,15)16)17-6-10-2-4-11(7-19)5-3-10/h2-5,9,17,19H,6-8H2,1H3,(H,18,20).
What are the key properties of 2-[[4-(hydroxymethyl)phenyl]methylamino]-N-(2,2,2-trifluoroethyl)propanamide?
2-[[4-(hydroxymethyl)phenyl]methylamino]-N-(2,2,2-trifluoroethyl)propanamide has a molecular weight of 290.29 g/mol, XLogP of 1.34, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(hydroxymethyl)phenyl]methylamino]-N-(2,2,2-trifluoroethyl)propanamide is sourced from PubChem (CID 107231004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).