2-[4-(aminomethyl)phenoxy]-N-ethyl-N-phenylacetamide

C17H20N2O2 — CID 16787196

IUPAC2-[4-(aminomethyl)phenoxy]-N-ethyl-N-phenylacetamide
SMILESCCN(C(=O)COc1ccc(CN)cc1)c1ccccc1
InChIInChI=1S/C17H20N2O2/c1-2-19(15-6-4-3-5-7-15)17(20)13-21-16-10-8-14(12-18)9-11-16/h3-11H,2,12-13,18H2,1H3
InChIKeyWHLYRASEHAFDFN-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.58
Rot. Bonds6

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

2-[4-(aminomethyl)phenoxy]-N-ethyl-N-phenylacetamide (PubChem CID 16787196) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 2-[4-(aminomethyl)phenoxy]-N-ethyl-N-phenylacetamide.

Molecular Properties

Compound Name2-[4-(aminomethyl)phenoxy]-N-ethyl-N-phenylacetamide
PubChem CID16787196
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name2-[4-(aminomethyl)phenoxy]-N-ethyl-N-phenylacetamide
SMILESCCN(C(=O)COc1ccc(CN)cc1)c1ccccc1
InChIInChI=1S/C17H20N2O2/c1-2-19(15-6-4-3-5-7-15)17(20)13-21-16-10-8-14(12-18)9-11-16/h3-11H,2,12-13,18H2,1H3
InChIKeyWHLYRASEHAFDFN-UHFFFAOYSA-N
XLogP2.58
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-2-(4-methoxyphenoxy)-N-phenylacetamide
CID 922695
N-ethyl-2-[2-(N-ethylanilino)-2-oxoethoxy]-N-phenylacetamide
CID 52563694
2-[3-(aminomethyl)phenoxy]-N-methyl-N-phenylacetamide
CID 106485204
2-[4-(aminomethyl)phenoxy]-N-cyclopropyl-N-ethylacetamide
CID 43263738
[2-(N-ethylanilino)-2-oxoethyl] 3-(4-methoxyphenoxy)propanoate
CID 2375807
N-(3-aminopropyl)-2-phenoxy-N-phenylacetamide
CID 28766720
2-(4-aminophenoxy)-N-ethyl-N-(4-fluorophenyl)acetamide
CID 61027807
N-ethyl-2-[4-(2-oxo-1H-imidazol-3-yl)phenoxy]-N-phenylacetamide
CID 167872733
4-ethoxy-N-ethyl-N-phenylbenzamide
CID 721190
[2-(N-ethylanilino)-2-oxoethyl] 3-phenylpropanoate
CID 2391741
[2-(N-ethylanilino)-2-oxoethyl] 2-(4-chloro-3-methylphenoxy)acetate
CID 9404407
N-[2-[4-(aminomethyl)phenoxy]ethyl]-N-ethylaniline
CID 43253527

Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)phenoxy]-N-ethyl-N-phenylacetamide?
The IUPAC name of 2-[4-(aminomethyl)phenoxy]-N-ethyl-N-phenylacetamide (CID 16787196) is 2-[4-(aminomethyl)phenoxy]-N-ethyl-N-phenylacetamide.
What is the SMILES notation for 2-[4-(aminomethyl)phenoxy]-N-ethyl-N-phenylacetamide?
The canonical SMILES for 2-[4-(aminomethyl)phenoxy]-N-ethyl-N-phenylacetamide is CCN(C(=O)COc1ccc(CN)cc1)c1ccccc1.
What is the InChIKey of 2-[4-(aminomethyl)phenoxy]-N-ethyl-N-phenylacetamide?
The InChIKey is WHLYRASEHAFDFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-2-19(15-6-4-3-5-7-15)17(20)13-21-16-10-8-14(12-18)9-11-16/h3-11H,2,12-13,18H2,1H3.
What are the key properties of 2-[4-(aminomethyl)phenoxy]-N-ethyl-N-phenylacetamide?
2-[4-(aminomethyl)phenoxy]-N-ethyl-N-phenylacetamide has a molecular weight of 284.36 g/mol, XLogP of 2.58, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(aminomethyl)phenoxy]-N-ethyl-N-phenylacetamide is sourced from PubChem (CID 16787196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).