2-[2-(aminomethyl)phenoxy]-N-(3-hydroxyphenyl)-N-methylacetamide

C16H18N2O3 — CID 107733334

IUPAC2-[2-(aminomethyl)phenoxy]-N-(3-hydroxyphenyl)-N-methylacetamide
SMILESCN(C(=O)COc1ccccc1CN)c1cccc(O)c1
InChIInChI=1S/C16H18N2O3/c1-18(13-6-4-7-14(19)9-13)16(20)11-21-15-8-3-2-5-12(15)10-17/h2-9,19H,10-11,17H2,1H3
InChIKeyAAEZFJUOLHSOKL-UHFFFAOYSA-N
MW286.33 g/mol
LogP1.89
Rot. Bonds5

About 2-[2-(aminomethyl)phenoxy]-N-(3-hydroxyphenyl)-N-methylacetamide

2-[2-(aminomethyl)phenoxy]-N-(3-hydroxyphenyl)-N-methylacetamide (PubChem CID 107733334) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is 2-[2-(aminomethyl)phenoxy]-N-(3-hydroxyphenyl)-N-methylacetamide.

Molecular Properties

Compound Name2-[2-(aminomethyl)phenoxy]-N-(3-hydroxyphenyl)-N-methylacetamide
PubChem CID107733334
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Name2-[2-(aminomethyl)phenoxy]-N-(3-hydroxyphenyl)-N-methylacetamide
SMILESCN(C(=O)COc1ccccc1CN)c1cccc(O)c1
InChIInChI=1S/C16H18N2O3/c1-18(13-6-4-7-14(19)9-13)16(20)11-21-15-8-3-2-5-12(15)10-17/h2-9,19H,10-11,17H2,1H3
InChIKeyAAEZFJUOLHSOKL-UHFFFAOYSA-N
XLogP1.89
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(aminomethyl)phenoxy]-N,N-diethylacetamide
CID 16771866
2-(2-aminophenoxy)-N-methyl-N-(3-methylphenyl)acetamide
CID 62003692
N-(4-aminophenyl)-2-[2-(hydroxymethyl)phenoxy]-N-methylacetamide
CID 63652191
2-[2-(aminomethyl)phenoxy]-N-[1-(dimethylamino)propan-2-yl]-N-ethylacetamide
CID 103187433
2-amino-N-[2-[2-(N,3-dimethylanilino)-2-oxoethoxy]phenyl]-N-[2-(N-methylanilino)-2-oxoethyl]acetamide
CID 70260618
2-[2-(aminomethyl)phenoxy]acetic acid
CID 15103326
ethyl 4-(3-hydroxy-N-methylanilino)-4-oxobutanoate
CID 107734000
2-[3-(aminomethyl)phenoxy]-N-methyl-N-phenylacetamide
CID 106485204
2-amino-6-ethoxy-N-(3-hydroxyphenyl)-N-methylbenzamide
CID 107733158
2-amino-N-[2-[2-(3-methoxy-N-methylanilino)-2-oxoethoxy]phenyl]-N-[2-(N-methylanilino)-2-oxoethyl]acetamide
CID 70259622
2-(2,3-difluorophenyl)-N-(3-hydroxyphenyl)-N-methylacetamide
CID 107735720
2-[2-(aminomethyl)phenoxy]-N-(2-ethoxyethyl)-N-ethylacetamide
CID 63697693

Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)phenoxy]-N-(3-hydroxyphenyl)-N-methylacetamide?
The IUPAC name of 2-[2-(aminomethyl)phenoxy]-N-(3-hydroxyphenyl)-N-methylacetamide (CID 107733334) is 2-[2-(aminomethyl)phenoxy]-N-(3-hydroxyphenyl)-N-methylacetamide.
What is the SMILES notation for 2-[2-(aminomethyl)phenoxy]-N-(3-hydroxyphenyl)-N-methylacetamide?
The canonical SMILES for 2-[2-(aminomethyl)phenoxy]-N-(3-hydroxyphenyl)-N-methylacetamide is CN(C(=O)COc1ccccc1CN)c1cccc(O)c1.
What is the InChIKey of 2-[2-(aminomethyl)phenoxy]-N-(3-hydroxyphenyl)-N-methylacetamide?
The InChIKey is AAEZFJUOLHSOKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-18(13-6-4-7-14(19)9-13)16(20)11-21-15-8-3-2-5-12(15)10-17/h2-9,19H,10-11,17H2,1H3.
What are the key properties of 2-[2-(aminomethyl)phenoxy]-N-(3-hydroxyphenyl)-N-methylacetamide?
2-[2-(aminomethyl)phenoxy]-N-(3-hydroxyphenyl)-N-methylacetamide has a molecular weight of 286.33 g/mol, XLogP of 1.89, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)phenoxy]-N-(3-hydroxyphenyl)-N-methylacetamide is sourced from PubChem (CID 107733334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).