2-[[2-amino-1-(4-fluorophenyl)ethyl]-ethylamino]-N-ethylacetamide

C14H22FN3O — CID 55016540

IUPAC2-[[2-amino-1-(4-fluorophenyl)ethyl]-ethylamino]-N-ethylacetamide
SMILESCCNC(=O)CN(CC)C(CN)c1ccc(F)cc1
InChIInChI=1S/C14H22FN3O/c1-3-17-14(19)10-18(4-2)13(9-16)11-5-7-12(15)8-6-11/h5-8,13H,3-4,9-10,16H2,1-2H3,(H,17,19)
InChIKeyYDJOMVUXJSLBJA-UHFFFAOYSA-N
MW267.35 g/mol
LogP1.28
Rot. Bonds7

About 2-[[2-amino-1-(4-fluorophenyl)ethyl]-ethylamino]-N-ethylacetamide

2-[[2-amino-1-(4-fluorophenyl)ethyl]-ethylamino]-N-ethylacetamide (PubChem CID 55016540) has the molecular formula C14H22FN3O and a molecular weight of 267.35 g/mol. Its IUPAC name is 2-[[2-amino-1-(4-fluorophenyl)ethyl]-ethylamino]-N-ethylacetamide.

Molecular Properties

Compound Name2-[[2-amino-1-(4-fluorophenyl)ethyl]-ethylamino]-N-ethylacetamide
PubChem CID55016540
Molecular FormulaC14H22FN3O
Molecular Weight267.35 g/mol
Exact Mass267.17
IUPAC Name2-[[2-amino-1-(4-fluorophenyl)ethyl]-ethylamino]-N-ethylacetamide
SMILESCCNC(=O)CN(CC)C(CN)c1ccc(F)cc1
InChIInChI=1S/C14H22FN3O/c1-3-17-14(19)10-18(4-2)13(9-16)11-5-7-12(15)8-6-11/h5-8,13H,3-4,9-10,16H2,1-2H3,(H,17,19)
InChIKeyYDJOMVUXJSLBJA-UHFFFAOYSA-N
XLogP1.28
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-amino-1-(4-methoxyphenyl)ethyl]-ethylamino]-N-methylacetamide
CID 55015522
N-benzyl-N-ethyl-1-(4-fluorophenyl)ethane-1,2-diamine
CID 43126038
3-amino-N-ethyl-2-(4-fluorophenyl)propanamide;hydrochloride
CID 120616335
2-[(2-amino-1-phenylethyl)-ethylamino]acetamide
CID 103101334
N-ethyl-2-[ethyl-[(4-fluorophenyl)carbamothioyl]amino]acetamide
CID 9213542
2-[[2-amino-1-(4-fluorophenyl)ethyl]-butylamino]ethanol
CID 55016257
N-ethyl-2-[ethyl-(2-hydrazinyl-2-oxo-1-phenylethyl)amino]acetamide
CID 63579664
3-amino-N-ethyl-2-(4-fluorophenyl)-N-methylpropanamide;hydrochloride
CID 120630206
N-ethyl-2-[ethyl-(1-hydrazinyl-3-methyl-1-oxobutan-2-yl)amino]acetamide
CID 55213084
2-[[1-(4-chlorophenyl)-1-oxopropan-2-yl]-ethylamino]-N-ethylacetamide
CID 62031823
2-[[1-(4-bromophenyl)-1-oxopropan-2-yl]-ethylamino]-N-ethylacetamide
CID 60680295
N-ethyl-3-[[(1S)-1-(4-fluorophenyl)ethyl]amino]propanamide
CID 81347490

Frequently Asked Questions

What is the IUPAC name of 2-[[2-amino-1-(4-fluorophenyl)ethyl]-ethylamino]-N-ethylacetamide?
The IUPAC name of 2-[[2-amino-1-(4-fluorophenyl)ethyl]-ethylamino]-N-ethylacetamide (CID 55016540) is 2-[[2-amino-1-(4-fluorophenyl)ethyl]-ethylamino]-N-ethylacetamide.
What is the SMILES notation for 2-[[2-amino-1-(4-fluorophenyl)ethyl]-ethylamino]-N-ethylacetamide?
The canonical SMILES for 2-[[2-amino-1-(4-fluorophenyl)ethyl]-ethylamino]-N-ethylacetamide is CCNC(=O)CN(CC)C(CN)c1ccc(F)cc1.
What is the InChIKey of 2-[[2-amino-1-(4-fluorophenyl)ethyl]-ethylamino]-N-ethylacetamide?
The InChIKey is YDJOMVUXJSLBJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FN3O/c1-3-17-14(19)10-18(4-2)13(9-16)11-5-7-12(15)8-6-11/h5-8,13H,3-4,9-10,16H2,1-2H3,(H,17,19).
What are the key properties of 2-[[2-amino-1-(4-fluorophenyl)ethyl]-ethylamino]-N-ethylacetamide?
2-[[2-amino-1-(4-fluorophenyl)ethyl]-ethylamino]-N-ethylacetamide has a molecular weight of 267.35 g/mol, XLogP of 1.28, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-amino-1-(4-fluorophenyl)ethyl]-ethylamino]-N-ethylacetamide is sourced from PubChem (CID 55016540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).