2-[2-[(cyclopropylamino)methyl]phenoxy]-N-(2,2,2-trifluoroethyl)acetamide

C14H17F3N2O2 — CID 61492439

IUPAC2-[2-[(cyclopropylamino)methyl]phenoxy]-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(COc1ccccc1CNC1CC1)NCC(F)(F)F
InChIInChI=1S/C14H17F3N2O2/c15-14(16,17)9-19-13(20)8-21-12-4-2-1-3-10(12)7-18-11-5-6-11/h1-4,11,18H,5-9H2,(H,19,20)
InChIKeyYLSNFZVUERGYIF-UHFFFAOYSA-N
MW302.30 g/mol
LogP2.00
Rot. Bonds7

About 2-[2-[(cyclopropylamino)methyl]phenoxy]-N-(2,2,2-trifluoroethyl)acetamide

2-[2-[(cyclopropylamino)methyl]phenoxy]-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 61492439) has the molecular formula C14H17F3N2O2 and a molecular weight of 302.30 g/mol. Its IUPAC name is 2-[2-[(cyclopropylamino)methyl]phenoxy]-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-[2-[(cyclopropylamino)methyl]phenoxy]-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID61492439
Molecular FormulaC14H17F3N2O2
Molecular Weight302.30 g/mol
Exact Mass302.12
IUPAC Name2-[2-[(cyclopropylamino)methyl]phenoxy]-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(COc1ccccc1CNC1CC1)NCC(F)(F)F
InChIInChI=1S/C14H17F3N2O2/c15-14(16,17)9-19-13(20)8-21-12-4-2-1-3-10(12)7-18-11-5-6-11/h1-4,11,18H,5-9H2,(H,19,20)
InChIKeyYLSNFZVUERGYIF-UHFFFAOYSA-N
XLogP2.00
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.30
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-carbamoyl-2-[2-[(cyclopropylamino)methyl]phenoxy]acetamide
CID 43277404
N-tert-butyl-2-[2-[(cyclopropylamino)methyl]phenoxy]acetamide;hydrochloride
CID 17053262
2-[2-(2-aminoethyl)phenoxy]-N-(2,2,2-trifluoroethyl)acetamide
CID 61492340
N-tert-butyl-2-[2-[(cyclopentylamino)methyl]phenoxy]acetamide;hydrochloride
CID 17053186
2-[2-[(cyclohexylamino)methyl]phenoxy]-N-(4-methylphenyl)acetamide
CID 2164253
N-cyclopropyl-2-[2-(methylaminomethyl)phenoxy]acetamide
CID 43277196
2-[(1-amino-2,3-dihydro-1H-inden-4-yl)oxy]-N-(2,2,2-trifluoroethyl)acetamide
CID 63091521
2-(2-nitrophenoxy)-N-(2,2,2-trifluoroethyl)acetamide
CID 2500342
2-[4-fluoro-2-(hydroxymethyl)phenoxy]-N-(2,2,2-trifluoroethyl)acetamide
CID 107698258
2-[2-[(cyclopropylamino)methyl]-6-ethoxyphenoxy]-N-ethylacetamide
CID 43279015
4-[(2-ethoxyphenyl)methylamino]cyclohexane-1-carboxylic acid
CID 60809553
N-(cyclopropylmethyl)-2-[2-(ethylaminomethyl)phenoxy]acetamide
CID 43277250

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(cyclopropylamino)methyl]phenoxy]-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-[2-[(cyclopropylamino)methyl]phenoxy]-N-(2,2,2-trifluoroethyl)acetamide (CID 61492439) is 2-[2-[(cyclopropylamino)methyl]phenoxy]-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-[2-[(cyclopropylamino)methyl]phenoxy]-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-[2-[(cyclopropylamino)methyl]phenoxy]-N-(2,2,2-trifluoroethyl)acetamide is O=C(COc1ccccc1CNC1CC1)NCC(F)(F)F.
What is the InChIKey of 2-[2-[(cyclopropylamino)methyl]phenoxy]-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is YLSNFZVUERGYIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N2O2/c15-14(16,17)9-19-13(20)8-21-12-4-2-1-3-10(12)7-18-11-5-6-11/h1-4,11,18H,5-9H2,(H,19,20).
What are the key properties of 2-[2-[(cyclopropylamino)methyl]phenoxy]-N-(2,2,2-trifluoroethyl)acetamide?
2-[2-[(cyclopropylamino)methyl]phenoxy]-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 302.30 g/mol, XLogP of 2.00, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(cyclopropylamino)methyl]phenoxy]-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 61492439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).