3-[4-bromo-2-[1-(methylamino)ethyl]phenoxy]-N-methylpropanamide

C13H19BrN2O2 — CID 62392982

IUPAC3-[4-bromo-2-[1-(methylamino)ethyl]phenoxy]-N-methylpropanamide
SMILESCNC(=O)CCOc1ccc(Br)cc1C(C)NC
InChIInChI=1S/C13H19BrN2O2/c1-9(15-2)11-8-10(14)4-5-12(11)18-7-6-13(17)16-3/h4-5,8-9,15H,6-7H2,1-3H3,(H,16,17)
InChIKeyYLZDRDWZWVAYPO-UHFFFAOYSA-N
MW315.21 g/mol
LogP2.24
Rot. Bonds6

About 3-[4-bromo-2-[1-(methylamino)ethyl]phenoxy]-N-methylpropanamide

3-[4-bromo-2-[1-(methylamino)ethyl]phenoxy]-N-methylpropanamide (PubChem CID 62392982) has the molecular formula C13H19BrN2O2 and a molecular weight of 315.21 g/mol. Its IUPAC name is 3-[4-bromo-2-[1-(methylamino)ethyl]phenoxy]-N-methylpropanamide.

Molecular Properties

Compound Name3-[4-bromo-2-[1-(methylamino)ethyl]phenoxy]-N-methylpropanamide
PubChem CID62392982
Molecular FormulaC13H19BrN2O2
Molecular Weight315.21 g/mol
Exact Mass314.06
IUPAC Name3-[4-bromo-2-[1-(methylamino)ethyl]phenoxy]-N-methylpropanamide
SMILESCNC(=O)CCOc1ccc(Br)cc1C(C)NC
InChIInChI=1S/C13H19BrN2O2/c1-9(15-2)11-8-10(14)4-5-12(11)18-7-6-13(17)16-3/h4-5,8-9,15H,6-7H2,1-3H3,(H,16,17)
InChIKeyYLZDRDWZWVAYPO-UHFFFAOYSA-N
XLogP2.24
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.21
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-[(1S)-1-aminoethyl]-4-bromophenoxy]-N-methylpropanamide
CID 55191169
3-[4-bromo-2-[1-(methylamino)ethyl]phenoxy]propan-1-ol
CID 62393180
4-[2-(1-aminoethyl)-4-bromophenoxy]-N-methylbutanamide
CID 63890948
3-[4-bromo-2-[1-(methylamino)ethyl]phenoxy]-N,N-dimethylpropan-1-amine
CID 82975362
2-[4-bromo-2-[1-(methylamino)ethyl]phenoxy]-N-(1-methoxypropan-2-yl)acetamide
CID 62392944
1-[5-bromo-2-[3-(2-methoxyethoxy)propoxy]phenyl]-N-methylethanamine
CID 103403029
N-[2-[4-bromo-2-[1-(methylamino)ethyl]phenoxy]ethyl]-N-propan-2-ylpropan-2-amine
CID 82955315
3-[4-bromo-2-(methylaminomethyl)phenoxy]-N-methylpropanamide
CID 62325278
3-[2-[(1R)-1-aminoethyl]-4-bromophenoxy]-N-propan-2-ylpropanamide
CID 55189402
3-(4-bromo-2-propan-2-ylphenoxy)propanamide
CID 115401946
3-[4-chloro-2-[(1R)-1-hydroxyethyl]phenoxy]-N-methylpropanamide
CID 63364651
1-[5-bromo-2-[3-(2,2,2-trifluoroethoxy)propoxy]phenyl]-N-methylethanamine
CID 62393265

Frequently Asked Questions

What is the IUPAC name of 3-[4-bromo-2-[1-(methylamino)ethyl]phenoxy]-N-methylpropanamide?
The IUPAC name of 3-[4-bromo-2-[1-(methylamino)ethyl]phenoxy]-N-methylpropanamide (CID 62392982) is 3-[4-bromo-2-[1-(methylamino)ethyl]phenoxy]-N-methylpropanamide.
What is the SMILES notation for 3-[4-bromo-2-[1-(methylamino)ethyl]phenoxy]-N-methylpropanamide?
The canonical SMILES for 3-[4-bromo-2-[1-(methylamino)ethyl]phenoxy]-N-methylpropanamide is CNC(=O)CCOc1ccc(Br)cc1C(C)NC.
What is the InChIKey of 3-[4-bromo-2-[1-(methylamino)ethyl]phenoxy]-N-methylpropanamide?
The InChIKey is YLZDRDWZWVAYPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O2/c1-9(15-2)11-8-10(14)4-5-12(11)18-7-6-13(17)16-3/h4-5,8-9,15H,6-7H2,1-3H3,(H,16,17).
What are the key properties of 3-[4-bromo-2-[1-(methylamino)ethyl]phenoxy]-N-methylpropanamide?
3-[4-bromo-2-[1-(methylamino)ethyl]phenoxy]-N-methylpropanamide has a molecular weight of 315.21 g/mol, XLogP of 2.24, 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-[1-(methylamino)ethyl]phenoxy]-N-methylpropanamide is sourced from PubChem (CID 62392982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).