2-[3-(aminomethyl)phenoxy]-N-methyl-N-phenylacetamide

C16H18N2O2 — CID 106485204

IUPAC2-[3-(aminomethyl)phenoxy]-N-methyl-N-phenylacetamide
SMILESCN(C(=O)COc1cccc(CN)c1)c1ccccc1
InChIInChI=1S/C16H18N2O2/c1-18(14-7-3-2-4-8-14)16(19)12-20-15-9-5-6-13(10-15)11-17/h2-10H,11-12,17H2,1H3
InChIKeyFSZURJWTXUHFIC-UHFFFAOYSA-N
MW270.33 g/mol
LogP2.19
Rot. Bonds5

About 2-[3-(aminomethyl)phenoxy]-N-methyl-N-phenylacetamide

2-[3-(aminomethyl)phenoxy]-N-methyl-N-phenylacetamide (PubChem CID 106485204) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is 2-[3-(aminomethyl)phenoxy]-N-methyl-N-phenylacetamide.

Molecular Properties

Compound Name2-[3-(aminomethyl)phenoxy]-N-methyl-N-phenylacetamide
PubChem CID106485204
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name2-[3-(aminomethyl)phenoxy]-N-methyl-N-phenylacetamide
SMILESCN(C(=O)COc1cccc(CN)c1)c1ccccc1
InChIInChI=1S/C16H18N2O2/c1-18(14-7-3-2-4-8-14)16(19)12-20-15-9-5-6-13(10-15)11-17/h2-10H,11-12,17H2,1H3
InChIKeyFSZURJWTXUHFIC-UHFFFAOYSA-N
XLogP2.19
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-benzyl-N-[3-[2-(N-methylanilino)-2-oxoethoxy]phenyl]acetamide
CID 10573232
2-(3-fluorophenoxy)-N-methyl-N-phenylacetamide
CID 78762284
2-[3-(aminomethyl)phenoxy]-N-(cyclopenten-1-yl)-N-methylacetamide
CID 106485021
N-[3-(aminomethyl)phenyl]-N-methyl-2-propan-2-yloxyacetamide
CID 112601744
2-[4-(aminomethyl)phenoxy]-N-ethyl-N-phenylacetamide
CID 16787196
2-[3-(aminomethyl)phenoxy]-N-cyclopropyl-N-ethylacetamide
CID 61487869
N-(3-carbamothioylphenyl)-N-methyl-2-phenoxyacetamide
CID 62971504
2-(4-bromophenoxy)-N-methyl-N-phenylacetamide
CID 888242
N-[4-(aminomethyl)phenyl]-N-methyl-2-phenylacetamide
CID 28755638
[2-(N-methylanilino)-2-oxoethyl] 2-(4-phenylmethoxyphenoxy)acetate
CID 9139029
2-(1,3-benzodioxol-5-yloxy)-N-methyl-N-phenylacetamide
CID 17310206
N-benzyl-2-(3-methylphenoxy)-N-phenylacetamide
CID 112977258

Frequently Asked Questions

What is the IUPAC name of 2-[3-(aminomethyl)phenoxy]-N-methyl-N-phenylacetamide?
The IUPAC name of 2-[3-(aminomethyl)phenoxy]-N-methyl-N-phenylacetamide (CID 106485204) is 2-[3-(aminomethyl)phenoxy]-N-methyl-N-phenylacetamide.
What is the SMILES notation for 2-[3-(aminomethyl)phenoxy]-N-methyl-N-phenylacetamide?
The canonical SMILES for 2-[3-(aminomethyl)phenoxy]-N-methyl-N-phenylacetamide is CN(C(=O)COc1cccc(CN)c1)c1ccccc1.
What is the InChIKey of 2-[3-(aminomethyl)phenoxy]-N-methyl-N-phenylacetamide?
The InChIKey is FSZURJWTXUHFIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-18(14-7-3-2-4-8-14)16(19)12-20-15-9-5-6-13(10-15)11-17/h2-10H,11-12,17H2,1H3.
What are the key properties of 2-[3-(aminomethyl)phenoxy]-N-methyl-N-phenylacetamide?
2-[3-(aminomethyl)phenoxy]-N-methyl-N-phenylacetamide has a molecular weight of 270.33 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(aminomethyl)phenoxy]-N-methyl-N-phenylacetamide is sourced from PubChem (CID 106485204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).