2-[2-aminoethyl(methyl)amino]-N-[1-(4-fluorophenyl)ethyl]acetamide

C13H20FN3O — CID 62687201

IUPAC2-[2-aminoethyl(methyl)amino]-N-[1-(4-fluorophenyl)ethyl]acetamide
SMILESCC(NC(=O)CN(C)CCN)c1ccc(F)cc1
InChIInChI=1S/C13H20FN3O/c1-10(11-3-5-12(14)6-4-11)16-13(18)9-17(2)8-7-15/h3-6,10H,7-9,15H2,1-2H3,(H,16,18)
InChIKeyYEQJPIBSIMZKOZ-UHFFFAOYSA-N
MW253.32 g/mol
LogP0.89
Rot. Bonds6

About 2-[2-aminoethyl(methyl)amino]-N-[1-(4-fluorophenyl)ethyl]acetamide

2-[2-aminoethyl(methyl)amino]-N-[1-(4-fluorophenyl)ethyl]acetamide (PubChem CID 62687201) has the molecular formula C13H20FN3O and a molecular weight of 253.32 g/mol. Its IUPAC name is 2-[2-aminoethyl(methyl)amino]-N-[1-(4-fluorophenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[2-aminoethyl(methyl)amino]-N-[1-(4-fluorophenyl)ethyl]acetamide
PubChem CID62687201
Molecular FormulaC13H20FN3O
Molecular Weight253.32 g/mol
Exact Mass253.16
IUPAC Name2-[2-aminoethyl(methyl)amino]-N-[1-(4-fluorophenyl)ethyl]acetamide
SMILESCC(NC(=O)CN(C)CCN)c1ccc(F)cc1
InChIInChI=1S/C13H20FN3O/c1-10(11-3-5-12(14)6-4-11)16-13(18)9-17(2)8-7-15/h3-6,10H,7-9,15H2,1-2H3,(H,16,18)
InChIKeyYEQJPIBSIMZKOZ-UHFFFAOYSA-N
XLogP0.89
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.32
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(4-fluorophenoxy)propyl-methylamino]-N-[1-(4-fluorophenyl)ethyl]acetamide
CID 46444841
3-amino-N-[1-(4-fluorophenyl)ethyl]propanamide
CID 61247716
4-amino-N-[(1S)-1-(4-fluorophenyl)ethyl]butanamide
CID 81350119
N-(4-fluorophenyl)-2-[methyl-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]amino]acetamide
CID 9253364
N-[(1S)-1-(4-fluorophenyl)ethyl]-2-[(4-fluorophenyl)sulfonyl-methylamino]acetamide
CID 9410067
N-[1-(4-bromophenyl)ethyl]-2-[2-hydroxyethyl(methyl)amino]acetamide
CID 60683956
2-[benzyl(methyl)amino]-N-(1-phenylethyl)acetamide
CID 18078396
2-(4-fluorophenyl)-N-[1-(4-fluorophenyl)ethyl]acetamide
CID 4878219
N-[(1S)-1-(4-chlorophenyl)ethyl]-2-[methyl-[(4-methylphenyl)methyl]amino]acetamide
CID 9024530
2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N-[1-(4-fluorophenyl)ethyl]acetamide
CID 107485291
2-[2-aminoethyl(methyl)amino]-N-(4-propan-2-ylphenyl)acetamide
CID 62688099
2-(dimethylcarbamoylamino)oxy-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide
CID 166303471

Frequently Asked Questions

What is the IUPAC name of 2-[2-aminoethyl(methyl)amino]-N-[1-(4-fluorophenyl)ethyl]acetamide?
The IUPAC name of 2-[2-aminoethyl(methyl)amino]-N-[1-(4-fluorophenyl)ethyl]acetamide (CID 62687201) is 2-[2-aminoethyl(methyl)amino]-N-[1-(4-fluorophenyl)ethyl]acetamide.
What is the SMILES notation for 2-[2-aminoethyl(methyl)amino]-N-[1-(4-fluorophenyl)ethyl]acetamide?
The canonical SMILES for 2-[2-aminoethyl(methyl)amino]-N-[1-(4-fluorophenyl)ethyl]acetamide is CC(NC(=O)CN(C)CCN)c1ccc(F)cc1.
What is the InChIKey of 2-[2-aminoethyl(methyl)amino]-N-[1-(4-fluorophenyl)ethyl]acetamide?
The InChIKey is YEQJPIBSIMZKOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FN3O/c1-10(11-3-5-12(14)6-4-11)16-13(18)9-17(2)8-7-15/h3-6,10H,7-9,15H2,1-2H3,(H,16,18).
What are the key properties of 2-[2-aminoethyl(methyl)amino]-N-[1-(4-fluorophenyl)ethyl]acetamide?
2-[2-aminoethyl(methyl)amino]-N-[1-(4-fluorophenyl)ethyl]acetamide has a molecular weight of 253.32 g/mol, XLogP of 0.89, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-aminoethyl(methyl)amino]-N-[1-(4-fluorophenyl)ethyl]acetamide is sourced from PubChem (CID 62687201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).