N-[2-(3-aminophenyl)ethyl]-2,2,2-trifluoroacetamide

C10H11F3N2O — CID 58723639

IUPACN-[2-(3-aminophenyl)ethyl]-2,2,2-trifluoroacetamide
SMILESNc1cccc(CCNC(=O)C(F)(F)F)c1
InChIInChI=1S/C10H11F3N2O/c11-10(12,13)9(16)15-5-4-7-2-1-3-8(14)6-7/h1-3,6H,4-5,14H2,(H,15,16)
InChIKeySJEAKJXSLFMYNF-UHFFFAOYSA-N
MW232.21 g/mol
LogP1.49
Rot. Bonds3

About N-[2-(3-aminophenyl)ethyl]-2,2,2-trifluoroacetamide

N-[2-(3-aminophenyl)ethyl]-2,2,2-trifluoroacetamide (PubChem CID 58723639) has the molecular formula C10H11F3N2O and a molecular weight of 232.21 g/mol. Its IUPAC name is N-[2-(3-aminophenyl)ethyl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[2-(3-aminophenyl)ethyl]-2,2,2-trifluoroacetamide
PubChem CID58723639
Molecular FormulaC10H11F3N2O
Molecular Weight232.21 g/mol
Exact Mass232.08
IUPAC NameN-[2-(3-aminophenyl)ethyl]-2,2,2-trifluoroacetamide
SMILESNc1cccc(CCNC(=O)C(F)(F)F)c1
InChIInChI=1S/C10H11F3N2O/c11-10(12,13)9(16)15-5-4-7-2-1-3-8(14)6-7/h1-3,6H,4-5,14H2,(H,15,16)
InChIKeySJEAKJXSLFMYNF-UHFFFAOYSA-N
XLogP1.49
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.21
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[2-(3-aminophenyl)ethyl]-2,2,2-trifluoroacetamide;hydrochloride
CID 86611680
N-[2-(4-aminophenyl)ethyl]-2,2,2-trifluoroacetamide;hydrochloride
CID 22906098
2,2,2-trifluoro-N-(2-naphthalen-2-ylethyl)acetamide
CID 19963458
3-(3-aminophenyl)-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 28713362
3-(3-aminophenyl)-N-[2-(3-chlorophenyl)ethyl]propanamide
CID 28713453
2-(3-aminophenyl)-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 28711957
2,2,2-trifluoro-N-(2-thiophen-3-ylethyl)acetamide
CID 62726521
N-[2-(3-chlorophenyl)ethyl]-2,2,3,3-tetrafluoropropanamide
CID 103732092
3-amino-N-[2-(3-chlorophenyl)ethyl]benzamide
CID 28722348
2-(aminomethyl)-2-ethyl-N-[2-(3-methylphenyl)ethyl]butanamide
CID 62312850
3-amino-N-[2-(3-methylphenyl)ethyl]benzamide
CID 62313883
3-(3-aminophenyl)-N-propylpropanamide
CID 28713263

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-aminophenyl)ethyl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[2-(3-aminophenyl)ethyl]-2,2,2-trifluoroacetamide (CID 58723639) is N-[2-(3-aminophenyl)ethyl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[2-(3-aminophenyl)ethyl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[2-(3-aminophenyl)ethyl]-2,2,2-trifluoroacetamide is Nc1cccc(CCNC(=O)C(F)(F)F)c1.
What is the InChIKey of N-[2-(3-aminophenyl)ethyl]-2,2,2-trifluoroacetamide?
The InChIKey is SJEAKJXSLFMYNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N2O/c11-10(12,13)9(16)15-5-4-7-2-1-3-8(14)6-7/h1-3,6H,4-5,14H2,(H,15,16).
What are the key properties of N-[2-(3-aminophenyl)ethyl]-2,2,2-trifluoroacetamide?
N-[2-(3-aminophenyl)ethyl]-2,2,2-trifluoroacetamide has a molecular weight of 232.21 g/mol, XLogP of 1.49, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-aminophenyl)ethyl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 58723639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).