2-[2-bromo-6-(methylaminomethyl)phenoxy]-N-pentan-2-ylpropanamide

C16H25BrN2O2 — CID 61389625

IUPAC2-[2-bromo-6-(methylaminomethyl)phenoxy]-N-pentan-2-ylpropanamide
SMILESCCCC(C)NC(=O)C(C)Oc1c(Br)cccc1CNC
InChIInChI=1S/C16H25BrN2O2/c1-5-7-11(2)19-16(20)12(3)21-15-13(10-18-4)8-6-9-14(15)17/h6,8-9,11-12,18H,5,7,10H2,1-4H3,(H,19,20)
InChIKeyJMOOKUIFABMWFX-UHFFFAOYSA-N
MW357.29 g/mol
LogP3.24
Rot. Bonds8

About 2-[2-bromo-6-(methylaminomethyl)phenoxy]-N-pentan-2-ylpropanamide

2-[2-bromo-6-(methylaminomethyl)phenoxy]-N-pentan-2-ylpropanamide (PubChem CID 61389625) has the molecular formula C16H25BrN2O2 and a molecular weight of 357.29 g/mol. Its IUPAC name is 2-[2-bromo-6-(methylaminomethyl)phenoxy]-N-pentan-2-ylpropanamide.

Molecular Properties

Compound Name2-[2-bromo-6-(methylaminomethyl)phenoxy]-N-pentan-2-ylpropanamide
PubChem CID61389625
Molecular FormulaC16H25BrN2O2
Molecular Weight357.29 g/mol
Exact Mass356.11
IUPAC Name2-[2-bromo-6-(methylaminomethyl)phenoxy]-N-pentan-2-ylpropanamide
SMILESCCCC(C)NC(=O)C(C)Oc1c(Br)cccc1CNC
InChIInChI=1S/C16H25BrN2O2/c1-5-7-11(2)19-16(20)12(3)21-15-13(10-18-4)8-6-9-14(15)17/h6,8-9,11-12,18H,5,7,10H2,1-4H3,(H,19,20)
InChIKeyJMOOKUIFABMWFX-UHFFFAOYSA-N
XLogP3.24
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.29
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-bromo-6-(hydroxymethyl)phenoxy]-N-pentan-2-ylpropanamide
CID 61391751
2-[2-(2-aminopropyl)-6-bromophenoxy]-N-butan-2-ylpropanamide
CID 61392424
2-[2-(2-aminoethyl)-6-bromophenoxy]-N-butan-2-ylpropanamide
CID 61391965
2-[2-bromo-6-(ethylaminomethyl)phenoxy]-N-butylpropanamide
CID 61390210
2-[2-bromo-6-(methylaminomethyl)phenoxy]-N-butan-2-ylacetamide
CID 61390284
2-[3-(methylaminomethyl)phenoxy]-N-pentan-2-ylpropanamide
CID 43278238
2-[2-bromo-6-(methylaminomethyl)phenoxy]-1-pyrrolidin-1-ylpropan-1-one
CID 61389734
(2S)-2-(2-ethylphenoxy)-N-[(2R)-pentan-2-yl]propanamide
CID 92684666
(2R)-2-(2-ethylphenoxy)-N-[(2S)-pentan-2-yl]propanamide
CID 92684665
2-[2-(ethylaminomethyl)phenoxy]-N-pentan-2-ylpropanamide
CID 43277213
2-[2-(2-aminoethyl)-6-bromophenoxy]-N-propylpropanamide
CID 61391964
(2S)-2-(3-methoxyphenoxy)-N-[(2S)-pentan-2-yl]propanamide
CID 99953946

Frequently Asked Questions

What is the IUPAC name of 2-[2-bromo-6-(methylaminomethyl)phenoxy]-N-pentan-2-ylpropanamide?
The IUPAC name of 2-[2-bromo-6-(methylaminomethyl)phenoxy]-N-pentan-2-ylpropanamide (CID 61389625) is 2-[2-bromo-6-(methylaminomethyl)phenoxy]-N-pentan-2-ylpropanamide.
What is the SMILES notation for 2-[2-bromo-6-(methylaminomethyl)phenoxy]-N-pentan-2-ylpropanamide?
The canonical SMILES for 2-[2-bromo-6-(methylaminomethyl)phenoxy]-N-pentan-2-ylpropanamide is CCCC(C)NC(=O)C(C)Oc1c(Br)cccc1CNC.
What is the InChIKey of 2-[2-bromo-6-(methylaminomethyl)phenoxy]-N-pentan-2-ylpropanamide?
The InChIKey is JMOOKUIFABMWFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25BrN2O2/c1-5-7-11(2)19-16(20)12(3)21-15-13(10-18-4)8-6-9-14(15)17/h6,8-9,11-12,18H,5,7,10H2,1-4H3,(H,19,20).
What are the key properties of 2-[2-bromo-6-(methylaminomethyl)phenoxy]-N-pentan-2-ylpropanamide?
2-[2-bromo-6-(methylaminomethyl)phenoxy]-N-pentan-2-ylpropanamide has a molecular weight of 357.29 g/mol, XLogP of 3.24, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-bromo-6-(methylaminomethyl)phenoxy]-N-pentan-2-ylpropanamide is sourced from PubChem (CID 61389625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).