N-[[4-(2-aminoethyl)phenyl]methyl]-2-(2,2,2-trifluoroethoxy)acetamide

C13H17F3N2O2 — CID 103806176

IUPACN-[[4-(2-aminoethyl)phenyl]methyl]-2-(2,2,2-trifluoroethoxy)acetamide
SMILESNCCc1ccc(CNC(=O)COCC(F)(F)F)cc1
InChIInChI=1S/C13H17F3N2O2/c14-13(15,16)9-20-8-12(19)18-7-11-3-1-10(2-4-11)5-6-17/h1-4H,5-9,17H2,(H,18,19)
InChIKeyNSSYHQMKALURJN-UHFFFAOYSA-N
MW290.29 g/mol
LogP1.38
Rot. Bonds7

About N-[[4-(2-aminoethyl)phenyl]methyl]-2-(2,2,2-trifluoroethoxy)acetamide

N-[[4-(2-aminoethyl)phenyl]methyl]-2-(2,2,2-trifluoroethoxy)acetamide (PubChem CID 103806176) has the molecular formula C13H17F3N2O2 and a molecular weight of 290.29 g/mol. Its IUPAC name is N-[[4-(2-aminoethyl)phenyl]methyl]-2-(2,2,2-trifluoroethoxy)acetamide.

Molecular Properties

Compound NameN-[[4-(2-aminoethyl)phenyl]methyl]-2-(2,2,2-trifluoroethoxy)acetamide
PubChem CID103806176
Molecular FormulaC13H17F3N2O2
Molecular Weight290.29 g/mol
Exact Mass290.12
IUPAC NameN-[[4-(2-aminoethyl)phenyl]methyl]-2-(2,2,2-trifluoroethoxy)acetamide
SMILESNCCc1ccc(CNC(=O)COCC(F)(F)F)cc1
InChIInChI=1S/C13H17F3N2O2/c14-13(15,16)9-20-8-12(19)18-7-11-3-1-10(2-4-11)5-6-17/h1-4H,5-9,17H2,(H,18,19)
InChIKeyNSSYHQMKALURJN-UHFFFAOYSA-N
XLogP1.38
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.29
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-(diethylaminomethyl)phenyl]methyl]-2-(2,2,2-trifluoroethoxy)acetamide
CID 86990508
N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-2-(2,2,2-trifluoroethoxy)acetamide
CID 55712427
2-amino-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]acetamide;hydrochloride
CID 119277633
4-[[4-(2-aminoethyl)phenyl]methylamino]-4-oxobutanoic acid
CID 153379116
2-(2-aminoethoxy)-N-[(4-methylphenyl)methyl]acetamide
CID 79464439
4-amino-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]butanamide;hydrochloride
CID 119277655
2-(2-amino-2-methylpropoxy)-N-benzylacetamide
CID 64537589
2-(2-aminoethoxy)-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
CID 79463391
N-(3-amino-2,2-difluoropropyl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 104954954
N-[[3-(3-aminoprop-1-ynyl)thiophen-2-yl]methyl]-2-(2,2,2-trifluoroethoxy)acetamide
CID 103209984
N-[[4-(2-aminoethyl)phenyl]methyl]-2-(2-hydroxyphenyl)acetamide
CID 80722829
2-(2,4-dichlorophenyl)-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]acetamide
CID 16582112

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-aminoethyl)phenyl]methyl]-2-(2,2,2-trifluoroethoxy)acetamide?
The IUPAC name of N-[[4-(2-aminoethyl)phenyl]methyl]-2-(2,2,2-trifluoroethoxy)acetamide (CID 103806176) is N-[[4-(2-aminoethyl)phenyl]methyl]-2-(2,2,2-trifluoroethoxy)acetamide.
What is the SMILES notation for N-[[4-(2-aminoethyl)phenyl]methyl]-2-(2,2,2-trifluoroethoxy)acetamide?
The canonical SMILES for N-[[4-(2-aminoethyl)phenyl]methyl]-2-(2,2,2-trifluoroethoxy)acetamide is NCCc1ccc(CNC(=O)COCC(F)(F)F)cc1.
What is the InChIKey of N-[[4-(2-aminoethyl)phenyl]methyl]-2-(2,2,2-trifluoroethoxy)acetamide?
The InChIKey is NSSYHQMKALURJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2O2/c14-13(15,16)9-20-8-12(19)18-7-11-3-1-10(2-4-11)5-6-17/h1-4H,5-9,17H2,(H,18,19).
What are the key properties of N-[[4-(2-aminoethyl)phenyl]methyl]-2-(2,2,2-trifluoroethoxy)acetamide?
N-[[4-(2-aminoethyl)phenyl]methyl]-2-(2,2,2-trifluoroethoxy)acetamide has a molecular weight of 290.29 g/mol, XLogP of 1.38, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2-aminoethyl)phenyl]methyl]-2-(2,2,2-trifluoroethoxy)acetamide is sourced from PubChem (CID 103806176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).