2-[4-[[2-aminoethyl(methyl)amino]methyl]phenoxy]acetamide

C12H19N3O2 — CID 62682748

IUPAC2-[4-[[2-aminoethyl(methyl)amino]methyl]phenoxy]acetamide
SMILESCN(CCN)Cc1ccc(OCC(N)=O)cc1
InChIInChI=1S/C12H19N3O2/c1-15(7-6-13)8-10-2-4-11(5-3-10)17-9-12(14)16/h2-5H,6-9,13H2,1H3,(H2,14,16)
InChIKeyZREGKVUZAOIEHI-UHFFFAOYSA-N
MW237.30 g/mol
LogP-0.06
Rot. Bonds7

About 2-[4-[[2-aminoethyl(methyl)amino]methyl]phenoxy]acetamide

2-[4-[[2-aminoethyl(methyl)amino]methyl]phenoxy]acetamide (PubChem CID 62682748) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 2-[4-[[2-aminoethyl(methyl)amino]methyl]phenoxy]acetamide.

Molecular Properties

Compound Name2-[4-[[2-aminoethyl(methyl)amino]methyl]phenoxy]acetamide
PubChem CID62682748
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name2-[4-[[2-aminoethyl(methyl)amino]methyl]phenoxy]acetamide
SMILESCN(CCN)Cc1ccc(OCC(N)=O)cc1
InChIInChI=1S/C12H19N3O2/c1-15(7-6-13)8-10-2-4-11(5-3-10)17-9-12(14)16/h2-5H,6-9,13H2,1H3,(H2,14,16)
InChIKeyZREGKVUZAOIEHI-UHFFFAOYSA-N
XLogP-0.06
TPSA81.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[4-(2-amino-2-oxoethoxy)phenyl]methyl-methylamino]butanoic acid
CID 65068126
2-[2-[4-(aminomethyl)phenoxy]ethyl-methylamino]acetamide
CID 43373897
2-[[4-(2-amino-2-oxoethoxy)phenyl]methyl-(2-methoxyethyl)amino]acetic acid
CID 65067251
4-(2-amino-2-oxoethoxy)-N-methoxy-N-methylbenzamide
CID 47119792
2-[4-(2-hydroxypropyl)phenoxy]acetamide
CID 115495800
N'-methyl-N'-[(4-propoxyphenyl)methyl]propane-1,3-diamine
CID 113285685
2-[[4-(2-amino-2-oxoethoxy)phenyl]methyl-butan-2-ylamino]acetic acid
CID 65057445
2-[4-[[[1-(dimethylamino)cyclobutyl]methylamino]methyl]phenoxy]acetamide
CID 105415307
N'-benzyl-N'-methylethane-1,2-diamine
CID 3014812
2-[[2-[4-(aminomethyl)phenoxy]acetyl]-methylamino]acetamide
CID 43373935
2-(4-butoxyphenoxy)acetamide
CID 22974475
[2-[benzyl(methyl)amino]-2-oxoethyl] 4-(2-amino-2-oxoethoxy)benzoate
CID 8678279

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[2-aminoethyl(methyl)amino]methyl]phenoxy]acetamide?
The IUPAC name of 2-[4-[[2-aminoethyl(methyl)amino]methyl]phenoxy]acetamide (CID 62682748) is 2-[4-[[2-aminoethyl(methyl)amino]methyl]phenoxy]acetamide.
What is the SMILES notation for 2-[4-[[2-aminoethyl(methyl)amino]methyl]phenoxy]acetamide?
The canonical SMILES for 2-[4-[[2-aminoethyl(methyl)amino]methyl]phenoxy]acetamide is CN(CCN)Cc1ccc(OCC(N)=O)cc1.
What is the InChIKey of 2-[4-[[2-aminoethyl(methyl)amino]methyl]phenoxy]acetamide?
The InChIKey is ZREGKVUZAOIEHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-15(7-6-13)8-10-2-4-11(5-3-10)17-9-12(14)16/h2-5H,6-9,13H2,1H3,(H2,14,16).
What are the key properties of 2-[4-[[2-aminoethyl(methyl)amino]methyl]phenoxy]acetamide?
2-[4-[[2-aminoethyl(methyl)amino]methyl]phenoxy]acetamide has a molecular weight of 237.30 g/mol, XLogP of -0.06, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[2-aminoethyl(methyl)amino]methyl]phenoxy]acetamide is sourced from PubChem (CID 62682748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).