2-[2-[4-(aminomethyl)phenoxy]ethyl-methylamino]-N-methylacetamide

C13H21N3O2 — CID 43374648

IUPAC2-[2-[4-(aminomethyl)phenoxy]ethyl-methylamino]-N-methylacetamide
SMILESCNC(=O)CN(C)CCOc1ccc(CN)cc1
InChIInChI=1S/C13H21N3O2/c1-15-13(17)10-16(2)7-8-18-12-5-3-11(9-14)4-6-12/h3-6H,7-10,14H2,1-2H3,(H,15,17)
InChIKeyCZPGZUVUUSCLNZ-UHFFFAOYSA-N
MW251.33 g/mol
LogP0.20
Rot. Bonds7

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

2-[2-[4-(aminomethyl)phenoxy]ethyl-methylamino]-N-methylacetamide (PubChem CID 43374648) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-[2-[4-(aminomethyl)phenoxy]ethyl-methylamino]-N-methylacetamide.

Molecular Properties

Compound Name2-[2-[4-(aminomethyl)phenoxy]ethyl-methylamino]-N-methylacetamide
PubChem CID43374648
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name2-[2-[4-(aminomethyl)phenoxy]ethyl-methylamino]-N-methylacetamide
SMILESCNC(=O)CN(C)CCOc1ccc(CN)cc1
InChIInChI=1S/C13H21N3O2/c1-15-13(17)10-16(2)7-8-18-12-5-3-11(9-14)4-6-12/h3-6H,7-10,14H2,1-2H3,(H,15,17)
InChIKeyCZPGZUVUUSCLNZ-UHFFFAOYSA-N
XLogP0.20
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[4-(aminomethyl)phenoxy]ethyl-methylamino]acetamide
CID 43373897
2-[2-[4-(cyanomethyl)phenoxy]ethyl-methylamino]-N-methylacetamide
CID 43374872
3-[[3-[4-(aminomethyl)phenoxy]-2-hydroxypropyl]-methylamino]-N-methylpropanamide
CID 106914872
2-[4-[4-(aminomethyl)phenyl]phenoxy]-N-methylacetamide
CID 43366442
N-[4-(aminomethyl)phenyl]-2-[2-ethoxyethyl(methyl)amino]acetamide
CID 81058978
2-[4-(aminomethyl)phenoxy]-N-methyl-N-[(2-methylfuran-3-yl)methyl]ethanamine
CID 61426229
2-[2-(4-aminophenoxy)ethyl-methylamino]-N-propylacetamide
CID 61450185
3-[3-(aminomethyl)phenoxy]-N-methylpropanamide
CID 62324722
2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-phenylmethoxyacetamide
CID 71944034
ethyl 2-[2-[3-(aminomethyl)phenoxy]ethyl-methylamino]acetate
CID 63380820
2-[4-(aminomethyl)phenyl]-N-methylacetamide
CID 23301882
N-(2,6-dichlorophenyl)-2-[methyl-[2-(4-propoxyphenoxy)ethyl]amino]acetamide
CID 9287046

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(aminomethyl)phenoxy]ethyl-methylamino]-N-methylacetamide?
The IUPAC name of 2-[2-[4-(aminomethyl)phenoxy]ethyl-methylamino]-N-methylacetamide (CID 43374648) is 2-[2-[4-(aminomethyl)phenoxy]ethyl-methylamino]-N-methylacetamide.
What is the SMILES notation for 2-[2-[4-(aminomethyl)phenoxy]ethyl-methylamino]-N-methylacetamide?
The canonical SMILES for 2-[2-[4-(aminomethyl)phenoxy]ethyl-methylamino]-N-methylacetamide is CNC(=O)CN(C)CCOc1ccc(CN)cc1.
What is the InChIKey of 2-[2-[4-(aminomethyl)phenoxy]ethyl-methylamino]-N-methylacetamide?
The InChIKey is CZPGZUVUUSCLNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-15-13(17)10-16(2)7-8-18-12-5-3-11(9-14)4-6-12/h3-6H,7-10,14H2,1-2H3,(H,15,17).
What are the key properties of 2-[2-[4-(aminomethyl)phenoxy]ethyl-methylamino]-N-methylacetamide?
2-[2-[4-(aminomethyl)phenoxy]ethyl-methylamino]-N-methylacetamide has a molecular weight of 251.33 g/mol, XLogP of 0.20, 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]-N-methylacetamide is sourced from PubChem (CID 43374648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).