1-[2-[[(1S)-1-(2-bromophenyl)ethyl]amino]ethyl]pyridin-2-one

C15H17BrN2O — CID 82897398

IUPAC1-[2-[[(1S)-1-(2-bromophenyl)ethyl]amino]ethyl]pyridin-2-one
SMILESC[C@H](NCCn1ccccc1=O)c1ccccc1Br
InChIInChI=1S/C15H17BrN2O/c1-12(13-6-2-3-7-14(13)16)17-9-11-18-10-5-4-8-15(18)19/h2-8,10,12,17H,9,11H2,1H3/t12-/m0/s1
InChIKeyAMOSGGCBROOANC-LBPRGKRZSA-N
MW321.22 g/mol
LogP2.96
Rot. Bonds5

About 1-[2-[[(1S)-1-(2-bromophenyl)ethyl]amino]ethyl]pyridin-2-one

1-[2-[[(1S)-1-(2-bromophenyl)ethyl]amino]ethyl]pyridin-2-one (PubChem CID 82897398) has the molecular formula C15H17BrN2O and a molecular weight of 321.22 g/mol. Its IUPAC name is 1-[2-[[(1S)-1-(2-bromophenyl)ethyl]amino]ethyl]pyridin-2-one.

Molecular Properties

Compound Name1-[2-[[(1S)-1-(2-bromophenyl)ethyl]amino]ethyl]pyridin-2-one
PubChem CID82897398
Molecular FormulaC15H17BrN2O
Molecular Weight321.22 g/mol
Exact Mass320.05
IUPAC Name1-[2-[[(1S)-1-(2-bromophenyl)ethyl]amino]ethyl]pyridin-2-one
SMILESC[C@H](NCCn1ccccc1=O)c1ccccc1Br
InChIInChI=1S/C15H17BrN2O/c1-12(13-6-2-3-7-14(13)16)17-9-11-18-10-5-4-8-15(18)19/h2-8,10,12,17H,9,11H2,1H3/t12-/m0/s1
InChIKeyAMOSGGCBROOANC-LBPRGKRZSA-N
XLogP2.96
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.22
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[5-[[(1R)-1-(2-bromophenyl)ethyl]amino]pentyl]pyrimidine-2,4-dione
CID 135219931
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CID 82907582
1-[2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]ethyl]pyridin-2-one
CID 82897772
1-(2-bromophenyl)-N-[2-(triazol-1-yl)ethyl]ethanamine
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1-(2-bromophenyl)-N-[2-(1-methylpyrazol-3-yl)ethyl]ethanamine
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1-[2-(1-cyclopentylethylamino)ethyl]pyridin-2-one
CID 81334184
3-[2-(2-oxo-1-pyridinyl)ethylamino]butanamide
CID 115676590
1-(2-bromophenyl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]ethanamine
CID 43203676
N-[1-(2-bromophenyl)ethyl]-7-methyloctan-1-amine
CID 43103321
3-[[(1S)-1-(2-bromophenyl)ethyl]amino]-N-propan-2-ylpropanamide
CID 81383684

Frequently Asked Questions

What is the IUPAC name of 1-[2-[[(1S)-1-(2-bromophenyl)ethyl]amino]ethyl]pyridin-2-one?
The IUPAC name of 1-[2-[[(1S)-1-(2-bromophenyl)ethyl]amino]ethyl]pyridin-2-one (CID 82897398) is 1-[2-[[(1S)-1-(2-bromophenyl)ethyl]amino]ethyl]pyridin-2-one.
What is the SMILES notation for 1-[2-[[(1S)-1-(2-bromophenyl)ethyl]amino]ethyl]pyridin-2-one?
The canonical SMILES for 1-[2-[[(1S)-1-(2-bromophenyl)ethyl]amino]ethyl]pyridin-2-one is C[C@H](NCCn1ccccc1=O)c1ccccc1Br.
What is the InChIKey of 1-[2-[[(1S)-1-(2-bromophenyl)ethyl]amino]ethyl]pyridin-2-one?
The InChIKey is AMOSGGCBROOANC-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H17BrN2O/c1-12(13-6-2-3-7-14(13)16)17-9-11-18-10-5-4-8-15(18)19/h2-8,10,12,17H,9,11H2,1H3/t12-/m0/s1.
What are the key properties of 1-[2-[[(1S)-1-(2-bromophenyl)ethyl]amino]ethyl]pyridin-2-one?
1-[2-[[(1S)-1-(2-bromophenyl)ethyl]amino]ethyl]pyridin-2-one has a molecular weight of 321.22 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[(1S)-1-(2-bromophenyl)ethyl]amino]ethyl]pyridin-2-one is sourced from PubChem (CID 82897398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).