2-[4-(aminomethyl)phenoxy]-N-[1-(dimethylamino)propan-2-yl]acetamide

C14H23N3O2 — CID 82945610

IUPAC2-[4-(aminomethyl)phenoxy]-N-[1-(dimethylamino)propan-2-yl]acetamide
SMILESCC(CN(C)C)NC(=O)COc1ccc(CN)cc1
InChIInChI=1S/C14H23N3O2/c1-11(9-17(2)3)16-14(18)10-19-13-6-4-12(8-15)5-7-13/h4-7,11H,8-10,15H2,1-3H3,(H,16,18)
InChIKeyOCWUVIZFODZJSG-UHFFFAOYSA-N
MW265.36 g/mol
LogP0.59
Rot. Bonds7

About 2-[4-(aminomethyl)phenoxy]-N-[1-(dimethylamino)propan-2-yl]acetamide

2-[4-(aminomethyl)phenoxy]-N-[1-(dimethylamino)propan-2-yl]acetamide (PubChem CID 82945610) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 2-[4-(aminomethyl)phenoxy]-N-[1-(dimethylamino)propan-2-yl]acetamide.

Molecular Properties

Compound Name2-[4-(aminomethyl)phenoxy]-N-[1-(dimethylamino)propan-2-yl]acetamide
PubChem CID82945610
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name2-[4-(aminomethyl)phenoxy]-N-[1-(dimethylamino)propan-2-yl]acetamide
SMILESCC(CN(C)C)NC(=O)COc1ccc(CN)cc1
InChIInChI=1S/C14H23N3O2/c1-11(9-17(2)3)16-14(18)10-19-13-6-4-12(8-15)5-7-13/h4-7,11H,8-10,15H2,1-3H3,(H,16,18)
InChIKeyOCWUVIZFODZJSG-UHFFFAOYSA-N
XLogP0.59
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(aminomethyl)phenoxy]-N-[3-[methyl(propan-2-yl)amino]propyl]acetamide
CID 106033671
2-[4-(aminomethyl)phenoxy]-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]acetamide
CID 106281095
N-(1-aminopropan-2-yl)-2-(4-methoxyphenoxy)acetamide
CID 110834177
N-(1-aminopropan-2-yl)-2-phenoxyacetamide
CID 63732380
2-[4-[4-(aminomethyl)phenyl]phenoxy]-N-methylacetamide
CID 43366442
2-[4-(aminomethyl)phenoxy]-N-(2-propan-2-yloxyethyl)acetamide
CID 104758382
2-(4-bromophenoxy)-N-(5-methylhexan-2-yl)acetamide
CID 112789363
2-(4-aminophenoxy)-N-(6-methylheptan-2-yl)acetamide
CID 61036016
2-[4-[4-(aminomethyl)phenyl]phenoxy]-N-ethylacetamide
CID 43366447
N-butan-2-yl-2-(4-nitrophenoxy)acetamide
CID 4810367
2-[[2-[4-(aminomethyl)phenoxy]acetyl]amino]acetamide
CID 16774708
N-[(2R)-1-hydroxypropan-2-yl]-2-(4-methoxyphenoxy)acetamide
CID 79031134

Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)phenoxy]-N-[1-(dimethylamino)propan-2-yl]acetamide?
The IUPAC name of 2-[4-(aminomethyl)phenoxy]-N-[1-(dimethylamino)propan-2-yl]acetamide (CID 82945610) is 2-[4-(aminomethyl)phenoxy]-N-[1-(dimethylamino)propan-2-yl]acetamide.
What is the SMILES notation for 2-[4-(aminomethyl)phenoxy]-N-[1-(dimethylamino)propan-2-yl]acetamide?
The canonical SMILES for 2-[4-(aminomethyl)phenoxy]-N-[1-(dimethylamino)propan-2-yl]acetamide is CC(CN(C)C)NC(=O)COc1ccc(CN)cc1.
What is the InChIKey of 2-[4-(aminomethyl)phenoxy]-N-[1-(dimethylamino)propan-2-yl]acetamide?
The InChIKey is OCWUVIZFODZJSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-11(9-17(2)3)16-14(18)10-19-13-6-4-12(8-15)5-7-13/h4-7,11H,8-10,15H2,1-3H3,(H,16,18).
What are the key properties of 2-[4-(aminomethyl)phenoxy]-N-[1-(dimethylamino)propan-2-yl]acetamide?
2-[4-(aminomethyl)phenoxy]-N-[1-(dimethylamino)propan-2-yl]acetamide has a molecular weight of 265.36 g/mol, XLogP of 0.59, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(aminomethyl)phenoxy]-N-[1-(dimethylamino)propan-2-yl]acetamide is sourced from PubChem (CID 82945610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).