2-[4-[4-(aminomethyl)phenyl]phenoxy]-N-methylacetamide

C16H18N2O2 — CID 43366442

IUPAC2-[4-[4-(aminomethyl)phenyl]phenoxy]-N-methylacetamide
SMILESCNC(=O)COc1ccc(-c2ccc(CN)cc2)cc1
InChIInChI=1S/C16H18N2O2/c1-18-16(19)11-20-15-8-6-14(7-9-15)13-4-2-12(10-17)3-5-13/h2-9H,10-11,17H2,1H3,(H,18,19)
InChIKeyJSMSXFXXUSZUSE-UHFFFAOYSA-N
MW270.33 g/mol
LogP1.94
Rot. Bonds5

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

2-[4-[4-(aminomethyl)phenyl]phenoxy]-N-methylacetamide (PubChem CID 43366442) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is 2-[4-[4-(aminomethyl)phenyl]phenoxy]-N-methylacetamide.

Molecular Properties

Compound Name2-[4-[4-(aminomethyl)phenyl]phenoxy]-N-methylacetamide
PubChem CID43366442
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name2-[4-[4-(aminomethyl)phenyl]phenoxy]-N-methylacetamide
SMILESCNC(=O)COc1ccc(-c2ccc(CN)cc2)cc1
InChIInChI=1S/C16H18N2O2/c1-18-16(19)11-20-15-8-6-14(7-9-15)13-4-2-12(10-17)3-5-13/h2-9H,10-11,17H2,1H3,(H,18,19)
InChIKeyJSMSXFXXUSZUSE-UHFFFAOYSA-N
XLogP1.94
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[4-(aminomethyl)phenyl]phenoxy]-N-ethylacetamide
CID 43366447
2-[4-(3,5-difluorophenyl)phenoxy]-N-methylacetamide
CID 72885050
2-(4-methoxyphenoxy)-N-methylacetamide
CID 606867
2-(4-ethylphenoxy)-N-[2-(methylamino)-2-oxoethoxy]acetamide
CID 110495647
2-[[2-[4-(aminomethyl)phenoxy]acetyl]amino]acetamide
CID 16774708
2-[4-(aminomethyl)phenyl]-N-methylacetamide
CID 23301882
2-[2-[4-(aminomethyl)phenoxy]ethyl-methylamino]-N-methylacetamide
CID 43374648
ethane;2-hydroxy-3-[4-[2-(methylamino)-2-oxoethoxy]phenyl]propanoic acid
CID 142975502
2-[4-(aminomethyl)-2-bromophenoxy]-N-methylacetamide
CID 63046001
N-[4-(aminomethyl)phenyl]-2-(4-fluorophenoxy)acetamide
CID 16782278
2-[4-(aminomethyl)phenoxy]-N-[1-(dimethylamino)propan-2-yl]acetamide
CID 82945610
2-[4-(aminomethyl)phenoxy]-N-(4-methylcyclohexyl)acetamide
CID 16796047

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-(aminomethyl)phenyl]phenoxy]-N-methylacetamide?
The IUPAC name of 2-[4-[4-(aminomethyl)phenyl]phenoxy]-N-methylacetamide (CID 43366442) is 2-[4-[4-(aminomethyl)phenyl]phenoxy]-N-methylacetamide.
What is the SMILES notation for 2-[4-[4-(aminomethyl)phenyl]phenoxy]-N-methylacetamide?
The canonical SMILES for 2-[4-[4-(aminomethyl)phenyl]phenoxy]-N-methylacetamide is CNC(=O)COc1ccc(-c2ccc(CN)cc2)cc1.
What is the InChIKey of 2-[4-[4-(aminomethyl)phenyl]phenoxy]-N-methylacetamide?
The InChIKey is JSMSXFXXUSZUSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-18-16(19)11-20-15-8-6-14(7-9-15)13-4-2-12(10-17)3-5-13/h2-9H,10-11,17H2,1H3,(H,18,19).
What are the key properties of 2-[4-[4-(aminomethyl)phenyl]phenoxy]-N-methylacetamide?
2-[4-[4-(aminomethyl)phenyl]phenoxy]-N-methylacetamide has a molecular weight of 270.33 g/mol, XLogP of 1.94, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-(aminomethyl)phenyl]phenoxy]-N-methylacetamide is sourced from PubChem (CID 43366442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).