2-[2-[1-(4-fluorophenyl)propan-2-ylamino]ethoxy]acetamide

C13H19FN2O2 — CID 106235256

IUPAC2-[2-[1-(4-fluorophenyl)propan-2-ylamino]ethoxy]acetamide
SMILESCC(Cc1ccc(F)cc1)NCCOCC(N)=O
InChIInChI=1S/C13H19FN2O2/c1-10(16-6-7-18-9-13(15)17)8-11-2-4-12(14)5-3-11/h2-5,10,16H,6-9H2,1H3,(H2,15,17)
InChIKeyIGUQIHPYMYZRDQ-UHFFFAOYSA-N
MW254.30 g/mol
LogP0.85
Rot. Bonds8

About 2-[2-[1-(4-fluorophenyl)propan-2-ylamino]ethoxy]acetamide

2-[2-[1-(4-fluorophenyl)propan-2-ylamino]ethoxy]acetamide (PubChem CID 106235256) has the molecular formula C13H19FN2O2 and a molecular weight of 254.30 g/mol. Its IUPAC name is 2-[2-[1-(4-fluorophenyl)propan-2-ylamino]ethoxy]acetamide.

Molecular Properties

Compound Name2-[2-[1-(4-fluorophenyl)propan-2-ylamino]ethoxy]acetamide
PubChem CID106235256
Molecular FormulaC13H19FN2O2
Molecular Weight254.30 g/mol
Exact Mass254.14
IUPAC Name2-[2-[1-(4-fluorophenyl)propan-2-ylamino]ethoxy]acetamide
SMILESCC(Cc1ccc(F)cc1)NCCOCC(N)=O
InChIInChI=1S/C13H19FN2O2/c1-10(16-6-7-18-9-13(15)17)8-11-2-4-12(14)5-3-11/h2-5,10,16H,6-9H2,1H3,(H2,15,17)
InChIKeyIGUQIHPYMYZRDQ-UHFFFAOYSA-N
XLogP0.85
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.30
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-butoxyethyl)-1-(4-fluorophenyl)propan-2-amine
CID 62997090
ethyl 3-[1-(4-fluorophenyl)propan-2-ylamino]-2-methylpropanoate
CID 55141490
2-amino-3-[1-(4-fluorophenyl)propan-2-ylamino]propanamide
CID 103250419
(2R)-1-(4-fluorophenyl)-N-(3-methoxypropyl)propan-2-amine
CID 7047069
4-[1-(4-fluorophenyl)propan-2-ylamino]butan-1-ol
CID 62996197
2-[2-[1-(4-aminophenyl)propan-2-ylamino]ethoxy]ethanol
CID 82257190
ethane;N-[1-(4-fluorophenyl)propan-2-yl]acetamide
CID 166127802
2-[2-[1-(3-fluoro-4-methylphenyl)ethylamino]ethoxy]acetamide
CID 106235231
N-[1-(4-fluorophenyl)propan-2-yl]-3-methoxy-2-methylpropan-1-amine
CID 115712747
4-[2-(2-amino-2-oxoethoxy)ethylamino]pentanoic acid
CID 106235413
N',N'-diethyl-N-[1-(4-fluorophenyl)propan-2-yl]ethane-1,2-diamine
CID 62995128
(2S)-2-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-3-(4-hydroxyphenyl)propanamide
CID 106236638

Frequently Asked Questions

What is the IUPAC name of 2-[2-[1-(4-fluorophenyl)propan-2-ylamino]ethoxy]acetamide?
The IUPAC name of 2-[2-[1-(4-fluorophenyl)propan-2-ylamino]ethoxy]acetamide (CID 106235256) is 2-[2-[1-(4-fluorophenyl)propan-2-ylamino]ethoxy]acetamide.
What is the SMILES notation for 2-[2-[1-(4-fluorophenyl)propan-2-ylamino]ethoxy]acetamide?
The canonical SMILES for 2-[2-[1-(4-fluorophenyl)propan-2-ylamino]ethoxy]acetamide is CC(Cc1ccc(F)cc1)NCCOCC(N)=O.
What is the InChIKey of 2-[2-[1-(4-fluorophenyl)propan-2-ylamino]ethoxy]acetamide?
The InChIKey is IGUQIHPYMYZRDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O2/c1-10(16-6-7-18-9-13(15)17)8-11-2-4-12(14)5-3-11/h2-5,10,16H,6-9H2,1H3,(H2,15,17).
What are the key properties of 2-[2-[1-(4-fluorophenyl)propan-2-ylamino]ethoxy]acetamide?
2-[2-[1-(4-fluorophenyl)propan-2-ylamino]ethoxy]acetamide has a molecular weight of 254.30 g/mol, XLogP of 0.85, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[1-(4-fluorophenyl)propan-2-ylamino]ethoxy]acetamide is sourced from PubChem (CID 106235256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).