2-[[(1S)-1-(2-bromophenyl)ethyl]amino]-1-morpholin-4-ylpropan-1-one

C15H21BrN2O2 — CID 81383364

IUPAC2-[[(1S)-1-(2-bromophenyl)ethyl]amino]-1-morpholin-4-ylpropan-1-one
SMILESCC(N[C@@H](C)c1ccccc1Br)C(=O)N1CCOCC1
InChIInChI=1S/C15H21BrN2O2/c1-11(13-5-3-4-6-14(13)16)17-12(2)15(19)18-7-9-20-10-8-18/h3-6,11-12,17H,7-10H2,1-2H3/t11-,12?/m0/s1
InChIKeyUPWPJEGQWPDZOD-PXYINDEMSA-N
MW341.25 g/mol
LogP2.35
Rot. Bonds4

About 2-[[(1S)-1-(2-bromophenyl)ethyl]amino]-1-morpholin-4-ylpropan-1-one

2-[[(1S)-1-(2-bromophenyl)ethyl]amino]-1-morpholin-4-ylpropan-1-one (PubChem CID 81383364) has the molecular formula C15H21BrN2O2 and a molecular weight of 341.25 g/mol. Its IUPAC name is 2-[[(1S)-1-(2-bromophenyl)ethyl]amino]-1-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name2-[[(1S)-1-(2-bromophenyl)ethyl]amino]-1-morpholin-4-ylpropan-1-one
PubChem CID81383364
Molecular FormulaC15H21BrN2O2
Molecular Weight341.25 g/mol
Exact Mass340.08
IUPAC Name2-[[(1S)-1-(2-bromophenyl)ethyl]amino]-1-morpholin-4-ylpropan-1-one
SMILESCC(N[C@@H](C)c1ccccc1Br)C(=O)N1CCOCC1
InChIInChI=1S/C15H21BrN2O2/c1-11(13-5-3-4-6-14(13)16)17-12(2)15(19)18-7-9-20-10-8-18/h3-6,11-12,17H,7-10H2,1-2H3/t11-,12?/m0/s1
InChIKeyUPWPJEGQWPDZOD-PXYINDEMSA-N
XLogP2.35
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.25
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[(1R)-1-(2-bromophenyl)ethyl]amino]-1-piperidin-1-ylpropan-1-one
CID 81383277
2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-1-morpholin-4-ylpropan-1-one
CID 81377372
2-[1-(3-bromothiophen-2-yl)ethylamino]-1-morpholin-4-ylpropan-1-one
CID 112551286
1-morpholin-4-yl-2-[[(1R)-1-pyridin-2-ylethyl]amino]propan-1-one
CID 81402403
2-[1-(2,6-difluorophenyl)ethylamino]-1-morpholin-4-ylpropan-1-one
CID 115588993
2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-1-morpholin-4-ylpropan-1-one
CID 81347605
1-(azepan-1-yl)-2-[1-(2-chlorophenyl)ethylamino]propan-1-one
CID 60676820
2-[[(1R)-1-(2-bromophenyl)ethyl]amino]-N-methylpropanamide
CID 81383906
2-[1-(4-ethoxyphenyl)ethylamino]-1-morpholin-4-ylpropan-1-one
CID 47016534
2-[[(1R)-1-(3-methoxyphenyl)ethyl]amino]-1-morpholin-4-ylpropan-1-one
CID 81354077
3-bromo-N-(1-morpholin-4-yl-1-oxopropan-2-yl)pyridine-2-carboxamide
CID 107519294
2-[1-(3-bromophenyl)propylamino]-1-morpholin-4-ylpropan-1-one
CID 115889708

Frequently Asked Questions

What is the IUPAC name of 2-[[(1S)-1-(2-bromophenyl)ethyl]amino]-1-morpholin-4-ylpropan-1-one?
The IUPAC name of 2-[[(1S)-1-(2-bromophenyl)ethyl]amino]-1-morpholin-4-ylpropan-1-one (CID 81383364) is 2-[[(1S)-1-(2-bromophenyl)ethyl]amino]-1-morpholin-4-ylpropan-1-one.
What is the SMILES notation for 2-[[(1S)-1-(2-bromophenyl)ethyl]amino]-1-morpholin-4-ylpropan-1-one?
The canonical SMILES for 2-[[(1S)-1-(2-bromophenyl)ethyl]amino]-1-morpholin-4-ylpropan-1-one is CC(N[C@@H](C)c1ccccc1Br)C(=O)N1CCOCC1.
What is the InChIKey of 2-[[(1S)-1-(2-bromophenyl)ethyl]amino]-1-morpholin-4-ylpropan-1-one?
The InChIKey is UPWPJEGQWPDZOD-PXYINDEMSA-N. The full InChI is InChI=1S/C15H21BrN2O2/c1-11(13-5-3-4-6-14(13)16)17-12(2)15(19)18-7-9-20-10-8-18/h3-6,11-12,17H,7-10H2,1-2H3/t11-,12?/m0/s1.
What are the key properties of 2-[[(1S)-1-(2-bromophenyl)ethyl]amino]-1-morpholin-4-ylpropan-1-one?
2-[[(1S)-1-(2-bromophenyl)ethyl]amino]-1-morpholin-4-ylpropan-1-one has a molecular weight of 341.25 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1S)-1-(2-bromophenyl)ethyl]amino]-1-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 81383364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).