1-[2-[4-bromo-2-[1-(methylamino)ethyl]phenoxy]ethyl]pyridin-2-one

C16H19BrN2O2 — CID 82898557

IUPAC1-[2-[4-bromo-2-[1-(methylamino)ethyl]phenoxy]ethyl]pyridin-2-one
SMILESCNC(C)c1cc(Br)ccc1OCCn1ccccc1=O
InChIInChI=1S/C16H19BrN2O2/c1-12(18-2)14-11-13(17)6-7-15(14)21-10-9-19-8-4-3-5-16(19)20/h3-8,11-12,18H,9-10H2,1-2H3
InChIKeyBFMGWFCKUHYCMS-UHFFFAOYSA-N
MW351.24 g/mol
LogP2.97
Rot. Bonds6

About 1-[2-[4-bromo-2-[1-(methylamino)ethyl]phenoxy]ethyl]pyridin-2-one

1-[2-[4-bromo-2-[1-(methylamino)ethyl]phenoxy]ethyl]pyridin-2-one (PubChem CID 82898557) has the molecular formula C16H19BrN2O2 and a molecular weight of 351.24 g/mol. Its IUPAC name is 1-[2-[4-bromo-2-[1-(methylamino)ethyl]phenoxy]ethyl]pyridin-2-one.

Molecular Properties

Compound Name1-[2-[4-bromo-2-[1-(methylamino)ethyl]phenoxy]ethyl]pyridin-2-one
PubChem CID82898557
Molecular FormulaC16H19BrN2O2
Molecular Weight351.24 g/mol
Exact Mass350.06
IUPAC Name1-[2-[4-bromo-2-[1-(methylamino)ethyl]phenoxy]ethyl]pyridin-2-one
SMILESCNC(C)c1cc(Br)ccc1OCCn1ccccc1=O
InChIInChI=1S/C16H19BrN2O2/c1-12(18-2)14-11-13(17)6-7-15(14)21-10-9-19-8-4-3-5-16(19)20/h3-8,11-12,18H,9-10H2,1-2H3
InChIKeyBFMGWFCKUHYCMS-UHFFFAOYSA-N
XLogP2.97
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.24
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[5-methyl-2-[1-(methylamino)ethyl]phenoxy]ethyl]pyridin-2-one
CID 82898565
3-[4-bromo-2-[1-(methylamino)ethyl]phenoxy]propan-1-ol
CID 62393180
1-[2-(2-bromo-4-methylphenoxy)ethyl]pyridin-2-one
CID 82840444
3-[4-bromo-2-[1-(methylamino)ethyl]phenoxy]-N,N-dimethylpropan-1-amine
CID 82975362
3-[4-bromo-2-[1-(methylamino)ethyl]phenoxy]-N-methylpropanamide
CID 62392982
N-[2-[4-bromo-2-[1-(methylamino)ethyl]phenoxy]ethyl]-N-propan-2-ylpropan-2-amine
CID 82955315
1-[5-bromo-2-[3-(2-methoxyethoxy)propoxy]phenyl]-N-methylethanamine
CID 103403029
1-[5-bromo-2-(2-propan-2-ylphenoxy)phenyl]-N-methylethanamine
CID 82956259
1-[2-[4-methyl-2-(methylaminomethyl)phenoxy]ethyl]pyridin-2-one
CID 82897921
1-[5-bromo-2-[(1-methyl-1,2,4-triazol-3-yl)oxy]phenyl]-N-methylethanamine
CID 106597369
1-[5-bromo-2-[3-(2,2,2-trifluoroethoxy)propoxy]phenyl]-N-methylethanamine
CID 62393265
1-[2-[2,6-dibromo-4-(methylaminomethyl)phenoxy]ethyl]pyridin-2-one
CID 107741788

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-bromo-2-[1-(methylamino)ethyl]phenoxy]ethyl]pyridin-2-one?
The IUPAC name of 1-[2-[4-bromo-2-[1-(methylamino)ethyl]phenoxy]ethyl]pyridin-2-one (CID 82898557) is 1-[2-[4-bromo-2-[1-(methylamino)ethyl]phenoxy]ethyl]pyridin-2-one.
What is the SMILES notation for 1-[2-[4-bromo-2-[1-(methylamino)ethyl]phenoxy]ethyl]pyridin-2-one?
The canonical SMILES for 1-[2-[4-bromo-2-[1-(methylamino)ethyl]phenoxy]ethyl]pyridin-2-one is CNC(C)c1cc(Br)ccc1OCCn1ccccc1=O.
What is the InChIKey of 1-[2-[4-bromo-2-[1-(methylamino)ethyl]phenoxy]ethyl]pyridin-2-one?
The InChIKey is BFMGWFCKUHYCMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN2O2/c1-12(18-2)14-11-13(17)6-7-15(14)21-10-9-19-8-4-3-5-16(19)20/h3-8,11-12,18H,9-10H2,1-2H3.
What are the key properties of 1-[2-[4-bromo-2-[1-(methylamino)ethyl]phenoxy]ethyl]pyridin-2-one?
1-[2-[4-bromo-2-[1-(methylamino)ethyl]phenoxy]ethyl]pyridin-2-one has a molecular weight of 351.24 g/mol, XLogP of 2.97, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-bromo-2-[1-(methylamino)ethyl]phenoxy]ethyl]pyridin-2-one is sourced from PubChem (CID 82898557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).