2-[4-[[[1-(trifluoromethyl)cyclopropyl]amino]methyl]phenoxy]acetamide

C13H15F3N2O2 — CID 106209969

IUPAC2-[4-[[[1-(trifluoromethyl)cyclopropyl]amino]methyl]phenoxy]acetamide
SMILESNC(=O)COc1ccc(CNC2(C(F)(F)F)CC2)cc1
InChIInChI=1S/C13H15F3N2O2/c14-13(15,16)12(5-6-12)18-7-9-1-3-10(4-2-9)20-8-11(17)19/h1-4,18H,5-8H2,(H2,17,19)
InChIKeyHLJYCZNYBFQIJL-UHFFFAOYSA-N
MW288.27 g/mol
LogP1.74
Rot. Bonds6

About 2-[4-[[[1-(trifluoromethyl)cyclopropyl]amino]methyl]phenoxy]acetamide

2-[4-[[[1-(trifluoromethyl)cyclopropyl]amino]methyl]phenoxy]acetamide (PubChem CID 106209969) has the molecular formula C13H15F3N2O2 and a molecular weight of 288.27 g/mol. Its IUPAC name is 2-[4-[[[1-(trifluoromethyl)cyclopropyl]amino]methyl]phenoxy]acetamide.

Molecular Properties

Compound Name2-[4-[[[1-(trifluoromethyl)cyclopropyl]amino]methyl]phenoxy]acetamide
PubChem CID106209969
Molecular FormulaC13H15F3N2O2
Molecular Weight288.27 g/mol
Exact Mass288.11
IUPAC Name2-[4-[[[1-(trifluoromethyl)cyclopropyl]amino]methyl]phenoxy]acetamide
SMILESNC(=O)COc1ccc(CNC2(C(F)(F)F)CC2)cc1
InChIInChI=1S/C13H15F3N2O2/c14-13(15,16)12(5-6-12)18-7-9-1-3-10(4-2-9)20-8-11(17)19/h1-4,18H,5-8H2,(H2,17,19)
InChIKeyHLJYCZNYBFQIJL-UHFFFAOYSA-N
XLogP1.74
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.27
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[[(2,2-difluoro-3-hydroxypropyl)amino]methyl]phenoxy]acetamide
CID 104857751
4-(2-amino-2-oxoethoxy)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 17452852
2-[4-[[[1-(dimethylamino)cyclobutyl]methylamino]methyl]phenoxy]acetamide
CID 105415307
2-[4-[(2,2-dimethylpropylamino)methyl]phenoxy]acetamide
CID 61166013
2-[4-[[(4-hydroxycyclohexyl)methylamino]methyl]phenoxy]acetamide
CID 106125082
2-[4-[(cyclohexylamino)methyl]phenoxy]acetamide
CID 2991496
tert-butyl N-[[4-(2-amino-2-oxoethoxy)phenyl]methyl]carbamate
CID 54547080
2-[[4-(2-amino-2-oxoethoxy)phenyl]methylamino]ethyl carbamate
CID 83211507
(2S)-2-[[4-(2-amino-2-oxoethoxy)phenyl]methylamino]propanamide
CID 39756608
2-[[4-(trifluoromethoxy)phenyl]methylamino]oxyacetamide
CID 112673035
2-[4-[(2,2,3-trimethylbutylamino)methyl]phenoxy]acetamide
CID 102609863
2-[4-[[(2-methylthiolan-2-yl)methylamino]methyl]phenoxy]acetamide
CID 80528735

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[[1-(trifluoromethyl)cyclopropyl]amino]methyl]phenoxy]acetamide?
The IUPAC name of 2-[4-[[[1-(trifluoromethyl)cyclopropyl]amino]methyl]phenoxy]acetamide (CID 106209969) is 2-[4-[[[1-(trifluoromethyl)cyclopropyl]amino]methyl]phenoxy]acetamide.
What is the SMILES notation for 2-[4-[[[1-(trifluoromethyl)cyclopropyl]amino]methyl]phenoxy]acetamide?
The canonical SMILES for 2-[4-[[[1-(trifluoromethyl)cyclopropyl]amino]methyl]phenoxy]acetamide is NC(=O)COc1ccc(CNC2(C(F)(F)F)CC2)cc1.
What is the InChIKey of 2-[4-[[[1-(trifluoromethyl)cyclopropyl]amino]methyl]phenoxy]acetamide?
The InChIKey is HLJYCZNYBFQIJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N2O2/c14-13(15,16)12(5-6-12)18-7-9-1-3-10(4-2-9)20-8-11(17)19/h1-4,18H,5-8H2,(H2,17,19).
What are the key properties of 2-[4-[[[1-(trifluoromethyl)cyclopropyl]amino]methyl]phenoxy]acetamide?
2-[4-[[[1-(trifluoromethyl)cyclopropyl]amino]methyl]phenoxy]acetamide has a molecular weight of 288.27 g/mol, XLogP of 1.74, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[[1-(trifluoromethyl)cyclopropyl]amino]methyl]phenoxy]acetamide is sourced from PubChem (CID 106209969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).