3-[4-bromo-2-(methylaminomethyl)phenoxy]-N-methylpropanamide

C12H17BrN2O2 — CID 62325278

IUPAC3-[4-bromo-2-(methylaminomethyl)phenoxy]-N-methylpropanamide
SMILESCNCc1cc(Br)ccc1OCCC(=O)NC
InChIInChI=1S/C12H17BrN2O2/c1-14-8-9-7-10(13)3-4-11(9)17-6-5-12(16)15-2/h3-4,7,14H,5-6,8H2,1-2H3,(H,15,16)
InChIKeyHWFRADHWRVGHBH-UHFFFAOYSA-N
MW301.18 g/mol
LogP1.68
Rot. Bonds6

About 3-[4-bromo-2-(methylaminomethyl)phenoxy]-N-methylpropanamide

3-[4-bromo-2-(methylaminomethyl)phenoxy]-N-methylpropanamide (PubChem CID 62325278) has the molecular formula C12H17BrN2O2 and a molecular weight of 301.18 g/mol. Its IUPAC name is 3-[4-bromo-2-(methylaminomethyl)phenoxy]-N-methylpropanamide.

Molecular Properties

Compound Name3-[4-bromo-2-(methylaminomethyl)phenoxy]-N-methylpropanamide
PubChem CID62325278
Molecular FormulaC12H17BrN2O2
Molecular Weight301.18 g/mol
Exact Mass300.05
IUPAC Name3-[4-bromo-2-(methylaminomethyl)phenoxy]-N-methylpropanamide
SMILESCNCc1cc(Br)ccc1OCCC(=O)NC
InChIInChI=1S/C12H17BrN2O2/c1-14-8-9-7-10(13)3-4-11(9)17-6-5-12(16)15-2/h3-4,7,14H,5-6,8H2,1-2H3,(H,15,16)
InChIKeyHWFRADHWRVGHBH-UHFFFAOYSA-N
XLogP1.68
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.18
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[4-bromo-2-[(cyclopropylamino)methyl]phenoxy]-N-methylbutanamide
CID 63890091
1-[5-bromo-2-(3-fluoropropoxy)phenyl]-N-methylmethanamine
CID 81105522
4-[4-chloro-2-(methylaminomethyl)phenoxy]-N-methylbutanamide
CID 63890303
3-[4-bromo-2-[(propan-2-ylamino)methyl]phenoxy]-N-propan-2-ylpropanamide
CID 62624298
3-[2-[(1S)-1-aminoethyl]-4-bromophenoxy]-N-methylpropanamide
CID 55191169
3-[4-bromo-2-[1-(methylamino)ethyl]phenoxy]-N-methylpropanamide
CID 62392982
1-[5-bromo-2-(2-tert-butylsulfonylethoxy)phenyl]-N-methylmethanamine
CID 106721991
3-[4-bromo-2-(propylaminomethyl)phenoxy]propanamide
CID 43277541
3-[4-bromo-2-(methylaminomethyl)phenoxy]-1,1,1-trifluoropropan-2-ol
CID 63901635
2-[4-bromo-2-(methylaminomethyl)phenoxy]-N-(oxan-4-yl)acetamide
CID 63098991
1-(azepan-1-yl)-2-[4-bromo-2-(methylaminomethyl)phenoxy]ethanone
CID 43277454
4-[2-(1-aminoethyl)-4-bromophenoxy]-N-methylbutanamide
CID 63890948

Frequently Asked Questions

What is the IUPAC name of 3-[4-bromo-2-(methylaminomethyl)phenoxy]-N-methylpropanamide?
The IUPAC name of 3-[4-bromo-2-(methylaminomethyl)phenoxy]-N-methylpropanamide (CID 62325278) is 3-[4-bromo-2-(methylaminomethyl)phenoxy]-N-methylpropanamide.
What is the SMILES notation for 3-[4-bromo-2-(methylaminomethyl)phenoxy]-N-methylpropanamide?
The canonical SMILES for 3-[4-bromo-2-(methylaminomethyl)phenoxy]-N-methylpropanamide is CNCc1cc(Br)ccc1OCCC(=O)NC.
What is the InChIKey of 3-[4-bromo-2-(methylaminomethyl)phenoxy]-N-methylpropanamide?
The InChIKey is HWFRADHWRVGHBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2O2/c1-14-8-9-7-10(13)3-4-11(9)17-6-5-12(16)15-2/h3-4,7,14H,5-6,8H2,1-2H3,(H,15,16).
What are the key properties of 3-[4-bromo-2-(methylaminomethyl)phenoxy]-N-methylpropanamide?
3-[4-bromo-2-(methylaminomethyl)phenoxy]-N-methylpropanamide has a molecular weight of 301.18 g/mol, XLogP of 1.68, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-bromo-2-(methylaminomethyl)phenoxy]-N-methylpropanamide is sourced from PubChem (CID 62325278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).