2-[2-[4-(aminomethyl)phenoxy]ethyl-methylamino]acetamide

C12H19N3O2 — CID 43373897

IUPAC2-[2-[4-(aminomethyl)phenoxy]ethyl-methylamino]acetamide
SMILESCN(CCOc1ccc(CN)cc1)CC(N)=O
InChIInChI=1S/C12H19N3O2/c1-15(9-12(14)16)6-7-17-11-4-2-10(8-13)3-5-11/h2-5H,6-9,13H2,1H3,(H2,14,16)
InChIKeyWSZRXOYKOXVBRT-UHFFFAOYSA-N
MW237.30 g/mol
LogP-0.06
Rot. Bonds7

About 2-[2-[4-(aminomethyl)phenoxy]ethyl-methylamino]acetamide

2-[2-[4-(aminomethyl)phenoxy]ethyl-methylamino]acetamide (PubChem CID 43373897) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 2-[2-[4-(aminomethyl)phenoxy]ethyl-methylamino]acetamide.

Molecular Properties

Compound Name2-[2-[4-(aminomethyl)phenoxy]ethyl-methylamino]acetamide
PubChem CID43373897
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name2-[2-[4-(aminomethyl)phenoxy]ethyl-methylamino]acetamide
SMILESCN(CCOc1ccc(CN)cc1)CC(N)=O
InChIInChI=1S/C12H19N3O2/c1-15(9-12(14)16)6-7-17-11-4-2-10(8-13)3-5-11/h2-5H,6-9,13H2,1H3,(H2,14,16)
InChIKeyWSZRXOYKOXVBRT-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

2-[2-[4-(aminomethyl)phenoxy]ethyl-methylamino]-N-methylacetamide
CID 43374648
2-[2-(4-carbamothioylphenoxy)ethyl-methylamino]acetamide
CID 43373985
2-[[2-[4-(aminomethyl)phenoxy]acetyl]-methylamino]acetamide
CID 43373935
3-[2-[(2-amino-2-oxoethyl)-methylamino]ethoxy]benzoic acid
CID 43532655
2-[4-(aminomethyl)phenoxy]-N-methyl-N-[(2-methylfuran-3-yl)methyl]ethanamine
CID 61426229
ethyl 2-[2-[3-(aminomethyl)phenoxy]ethyl-methylamino]acetate
CID 63380820
2-[4-[[2-aminoethyl(methyl)amino]methyl]phenoxy]acetamide
CID 62682748
3-[2-(4-chlorophenoxy)ethyl-methylamino]propanamide
CID 39750578
2-[2-[3-(aminomethyl)phenoxy]ethyl-(2-amino-2-oxoethyl)amino]acetamide
CID 62922417
2-[methyl-[2-(4-methylphenoxy)ethyl]amino]acetic acid
CID 43386105
N'-[3-[4-(aminomethyl)phenoxy]propyl]-N,N,N'-trimethylpropane-1,3-diamine
CID 63694110
N-[2-[4-(aminomethyl)phenoxy]ethyl]-N-methylcyclopropanamine
CID 43264634

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(aminomethyl)phenoxy]ethyl-methylamino]acetamide?
The IUPAC name of 2-[2-[4-(aminomethyl)phenoxy]ethyl-methylamino]acetamide (CID 43373897) is 2-[2-[4-(aminomethyl)phenoxy]ethyl-methylamino]acetamide.
What is the SMILES notation for 2-[2-[4-(aminomethyl)phenoxy]ethyl-methylamino]acetamide?
The canonical SMILES for 2-[2-[4-(aminomethyl)phenoxy]ethyl-methylamino]acetamide is CN(CCOc1ccc(CN)cc1)CC(N)=O.
What is the InChIKey of 2-[2-[4-(aminomethyl)phenoxy]ethyl-methylamino]acetamide?
The InChIKey is WSZRXOYKOXVBRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-15(9-12(14)16)6-7-17-11-4-2-10(8-13)3-5-11/h2-5H,6-9,13H2,1H3,(H2,14,16).
What are the key properties of 2-[2-[4-(aminomethyl)phenoxy]ethyl-methylamino]acetamide?
2-[2-[4-(aminomethyl)phenoxy]ethyl-methylamino]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-[2-[4-(aminomethyl)phenoxy]ethyl-methylamino]acetamide is sourced from PubChem (CID 43373897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).