N-[2-(4-aminophenoxy)ethyl]-3,3,3-trifluoropropanamide

C11H13F3N2O2 — CID 54915197

IUPACN-[2-(4-aminophenoxy)ethyl]-3,3,3-trifluoropropanamide
SMILESNc1ccc(OCCNC(=O)CC(F)(F)F)cc1
InChIInChI=1S/C11H13F3N2O2/c12-11(13,14)7-10(17)16-5-6-18-9-3-1-8(15)2-4-9/h1-4H,5-7,15H2,(H,16,17)
InChIKeyRSMQXMPHCZGQNI-UHFFFAOYSA-N
MW262.23 g/mol
LogP1.72
Rot. Bonds5

About N-[2-(4-aminophenoxy)ethyl]-3,3,3-trifluoropropanamide

N-[2-(4-aminophenoxy)ethyl]-3,3,3-trifluoropropanamide (PubChem CID 54915197) has the molecular formula C11H13F3N2O2 and a molecular weight of 262.23 g/mol. Its IUPAC name is N-[2-(4-aminophenoxy)ethyl]-3,3,3-trifluoropropanamide.

Molecular Properties

Compound NameN-[2-(4-aminophenoxy)ethyl]-3,3,3-trifluoropropanamide
PubChem CID54915197
Molecular FormulaC11H13F3N2O2
Molecular Weight262.23 g/mol
Exact Mass262.09
IUPAC NameN-[2-(4-aminophenoxy)ethyl]-3,3,3-trifluoropropanamide
SMILESNc1ccc(OCCNC(=O)CC(F)(F)F)cc1
InChIInChI=1S/C11H13F3N2O2/c12-11(13,14)7-10(17)16-5-6-18-9-3-1-8(15)2-4-9/h1-4H,5-7,15H2,(H,16,17)
InChIKeyRSMQXMPHCZGQNI-UHFFFAOYSA-N
XLogP1.72
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.23
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[2-(4-aminophenoxy)ethyl]-3,3-dimethylbutanamide
CID 54915240
N-[2-(4-aminophenoxy)ethyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112601847
N-[2-(4-aminophenyl)ethyl]-3,3,3-trifluoropropanamide;hydrochloride
CID 119548642
2-(4-aminophenoxy)ethyl 2,2,2-trifluoroacetate
CID 84816936
3-(4-aminophenoxy)propylcarbamic acid
CID 22640978
N-[2-(4-aminophenoxy)ethyl]-2-cycloheptylacetamide
CID 114457049
N-[2-(4-aminophenoxy)ethyl]benzamide
CID 14121577
tert-butyl N-[2-[4-(4-aminophenyl)phenoxy]ethyl]carbamate
CID 139950416
N-[2-(4-aminophenoxy)ethyl]-3-(4-methylphenyl)propanamide
CID 84816880
N-[2-(4-aminophenoxy)ethyl]-2-(3-methylphenyl)acetamide
CID 62388330
3-(4-aminophenoxy)-N-(2-propan-2-yloxyethyl)propanamide
CID 104758179
3-amino-N-[2-[4-(trifluoromethyl)phenoxy]ethyl]propanamide;hydrochloride
CID 119296668

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-aminophenoxy)ethyl]-3,3,3-trifluoropropanamide?
The IUPAC name of N-[2-(4-aminophenoxy)ethyl]-3,3,3-trifluoropropanamide (CID 54915197) is N-[2-(4-aminophenoxy)ethyl]-3,3,3-trifluoropropanamide.
What is the SMILES notation for N-[2-(4-aminophenoxy)ethyl]-3,3,3-trifluoropropanamide?
The canonical SMILES for N-[2-(4-aminophenoxy)ethyl]-3,3,3-trifluoropropanamide is Nc1ccc(OCCNC(=O)CC(F)(F)F)cc1.
What is the InChIKey of N-[2-(4-aminophenoxy)ethyl]-3,3,3-trifluoropropanamide?
The InChIKey is RSMQXMPHCZGQNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2O2/c12-11(13,14)7-10(17)16-5-6-18-9-3-1-8(15)2-4-9/h1-4H,5-7,15H2,(H,16,17).
What are the key properties of N-[2-(4-aminophenoxy)ethyl]-3,3,3-trifluoropropanamide?
N-[2-(4-aminophenoxy)ethyl]-3,3,3-trifluoropropanamide has a molecular weight of 262.23 g/mol, XLogP of 1.72, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-aminophenoxy)ethyl]-3,3,3-trifluoropropanamide is sourced from PubChem (CID 54915197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).