2-[2-(aminomethyl)phenoxy]-N-[(3-methylphenyl)methyl]acetamide

C17H20N2O2 — CID 60903946

IUPAC2-[2-(aminomethyl)phenoxy]-N-[(3-methylphenyl)methyl]acetamide
SMILESCc1cccc(CNC(=O)COc2ccccc2CN)c1
InChIInChI=1S/C17H20N2O2/c1-13-5-4-6-14(9-13)11-19-17(20)12-21-16-8-3-2-7-15(16)10-18/h2-9H,10-12,18H2,1H3,(H,19,20)
InChIKeyAFGDATWIFRRMOX-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.15
Rot. Bonds6

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

2-[2-(aminomethyl)phenoxy]-N-[(3-methylphenyl)methyl]acetamide (PubChem CID 60903946) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 2-[2-(aminomethyl)phenoxy]-N-[(3-methylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[2-(aminomethyl)phenoxy]-N-[(3-methylphenyl)methyl]acetamide
PubChem CID60903946
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name2-[2-(aminomethyl)phenoxy]-N-[(3-methylphenyl)methyl]acetamide
SMILESCc1cccc(CNC(=O)COc2ccccc2CN)c1
InChIInChI=1S/C17H20N2O2/c1-13-5-4-6-14(9-13)11-19-17(20)12-21-16-8-3-2-7-15(16)10-18/h2-9H,10-12,18H2,1H3,(H,19,20)
InChIKeyAFGDATWIFRRMOX-UHFFFAOYSA-N
XLogP2.15
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(aminomethyl)phenoxy]-N-[(4-methylphenyl)methyl]acetamide
CID 16795293
2-[[2-(2-methoxyphenoxy)acetyl]amino]-N-[(3-methylphenyl)methyl]acetamide
CID 112992172
2-[2-(aminomethyl)phenoxy]-N-[(4-methoxyphenyl)methyl]acetamide
CID 43822964
2-(2,6-dimethylphenoxy)-N-[(3-methylphenyl)methyl]acetamide
CID 38294910
N-[[2-(aminomethyl)phenyl]methyl]-3-(3-methylphenyl)propanamide
CID 62950258
2-[2-(aminomethyl)phenoxy]-N-(1H-pyrazol-4-ylmethyl)acetamide
CID 54982506
N-[(2-ethoxyphenyl)methyl]-3-(3-methylphenyl)propanamide
CID 60565788
2-(4-bromophenoxy)-N-[(3-methylphenyl)methyl]acetamide
CID 38294492
N-[(2-ethoxyphenyl)methyl]-2-(3-methylphenoxy)acetamide
CID 53288654
1-[[2-(2-hydroxyethoxy)phenyl]methyl]-3-[(3-methylphenyl)methyl]urea
CID 111457991
2-[2-(aminomethyl)phenoxy]-N-(2-methoxyethyl)acetamide
CID 16788914
2-bromo-N-[(3-methylphenyl)methyl]acetamide
CID 63679307

Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)phenoxy]-N-[(3-methylphenyl)methyl]acetamide?
The IUPAC name of 2-[2-(aminomethyl)phenoxy]-N-[(3-methylphenyl)methyl]acetamide (CID 60903946) is 2-[2-(aminomethyl)phenoxy]-N-[(3-methylphenyl)methyl]acetamide.
What is the SMILES notation for 2-[2-(aminomethyl)phenoxy]-N-[(3-methylphenyl)methyl]acetamide?
The canonical SMILES for 2-[2-(aminomethyl)phenoxy]-N-[(3-methylphenyl)methyl]acetamide is Cc1cccc(CNC(=O)COc2ccccc2CN)c1.
What is the InChIKey of 2-[2-(aminomethyl)phenoxy]-N-[(3-methylphenyl)methyl]acetamide?
The InChIKey is AFGDATWIFRRMOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-13-5-4-6-14(9-13)11-19-17(20)12-21-16-8-3-2-7-15(16)10-18/h2-9H,10-12,18H2,1H3,(H,19,20).
What are the key properties of 2-[2-(aminomethyl)phenoxy]-N-[(3-methylphenyl)methyl]acetamide?
2-[2-(aminomethyl)phenoxy]-N-[(3-methylphenyl)methyl]acetamide has a molecular weight of 284.36 g/mol, XLogP of 2.15, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)phenoxy]-N-[(3-methylphenyl)methyl]acetamide is sourced from PubChem (CID 60903946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).