2-[2-(aminomethyl)-4-methylphenoxy]-N-(2-bromophenyl)acetamide

C16H17BrN2O2 — CID 63322380

IUPAC2-[2-(aminomethyl)-4-methylphenoxy]-N-(2-bromophenyl)acetamide
SMILESCc1ccc(OCC(=O)Nc2ccccc2Br)c(CN)c1
InChIInChI=1S/C16H17BrN2O2/c1-11-6-7-15(12(8-11)9-18)21-10-16(20)19-14-5-3-2-4-13(14)17/h2-8H,9-10,18H2,1H3,(H,19,20)
InChIKeyMTCCGLLBVVRTED-UHFFFAOYSA-N
MW349.23 g/mol
LogP3.23
Rot. Bonds5

About 2-[2-(aminomethyl)-4-methylphenoxy]-N-(2-bromophenyl)acetamide

2-[2-(aminomethyl)-4-methylphenoxy]-N-(2-bromophenyl)acetamide (PubChem CID 63322380) has the molecular formula C16H17BrN2O2 and a molecular weight of 349.23 g/mol. Its IUPAC name is 2-[2-(aminomethyl)-4-methylphenoxy]-N-(2-bromophenyl)acetamide.

Molecular Properties

Compound Name2-[2-(aminomethyl)-4-methylphenoxy]-N-(2-bromophenyl)acetamide
PubChem CID63322380
Molecular FormulaC16H17BrN2O2
Molecular Weight349.23 g/mol
Exact Mass348.05
IUPAC Name2-[2-(aminomethyl)-4-methylphenoxy]-N-(2-bromophenyl)acetamide
SMILESCc1ccc(OCC(=O)Nc2ccccc2Br)c(CN)c1
InChIInChI=1S/C16H17BrN2O2/c1-11-6-7-15(12(8-11)9-18)21-10-16(20)19-14-5-3-2-4-13(14)17/h2-8H,9-10,18H2,1H3,(H,19,20)
InChIKeyMTCCGLLBVVRTED-UHFFFAOYSA-N
XLogP3.23
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.23
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(aminomethyl)-4-fluorophenoxy]-N-(2-methylphenyl)acetamide
CID 107694923
2-[2-(aminomethyl)-4-methylphenoxy]-N-(4-fluorophenyl)acetamide
CID 63322519
N-(2-amino-4-methylphenyl)-2-(2-bromophenoxy)acetamide
CID 43376719
N-(2-bromophenyl)-2-(3-hydroxy-2-methylphenoxy)acetamide
CID 43143290
2-[2-bromo-4-(hydroxymethyl)phenoxy]-N-(2-bromophenyl)acetamide
CID 63052653
2-[2-(aminomethyl)-4-methylphenoxy]-N-propylacetamide
CID 63322563
N-(3-acetamido-2-methylphenyl)-2-(2-bromo-4-methylphenoxy)acetamide
CID 24673628
[2-(2-bromoanilino)-2-oxoethyl] 2,5-dimethylbenzoate
CID 2520073
2-(2-amino-4-fluorophenoxy)-N-(2-bromophenyl)acetamide
CID 62368515
2-(2,5-dimethylphenoxy)-N-[2-[[2-(2,5-dimethylphenoxy)acetyl]amino]phenyl]acetamide
CID 1012654
2-(4-acetyl-2-methoxyphenoxy)-N-(2-bromophenyl)acetamide
CID 26536729
[2-(2-bromoanilino)-2-oxoethyl] 3-methylbenzoate
CID 2563236

Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)-4-methylphenoxy]-N-(2-bromophenyl)acetamide?
The IUPAC name of 2-[2-(aminomethyl)-4-methylphenoxy]-N-(2-bromophenyl)acetamide (CID 63322380) is 2-[2-(aminomethyl)-4-methylphenoxy]-N-(2-bromophenyl)acetamide.
What is the SMILES notation for 2-[2-(aminomethyl)-4-methylphenoxy]-N-(2-bromophenyl)acetamide?
The canonical SMILES for 2-[2-(aminomethyl)-4-methylphenoxy]-N-(2-bromophenyl)acetamide is Cc1ccc(OCC(=O)Nc2ccccc2Br)c(CN)c1.
What is the InChIKey of 2-[2-(aminomethyl)-4-methylphenoxy]-N-(2-bromophenyl)acetamide?
The InChIKey is MTCCGLLBVVRTED-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2O2/c1-11-6-7-15(12(8-11)9-18)21-10-16(20)19-14-5-3-2-4-13(14)17/h2-8H,9-10,18H2,1H3,(H,19,20).
What are the key properties of 2-[2-(aminomethyl)-4-methylphenoxy]-N-(2-bromophenyl)acetamide?
2-[2-(aminomethyl)-4-methylphenoxy]-N-(2-bromophenyl)acetamide has a molecular weight of 349.23 g/mol, XLogP of 3.23, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)-4-methylphenoxy]-N-(2-bromophenyl)acetamide is sourced from PubChem (CID 63322380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).