(2S)-2-amino-1-[2-(4-bromophenyl)morpholin-4-yl]-4-methylpentan-1-one

C16H23BrN2O2 — CID 119747734

IUPAC(2S)-2-amino-1-[2-(4-bromophenyl)morpholin-4-yl]-4-methylpentan-1-one
SMILESCC(C)C[C@H](N)C(=O)N1CCOC(c2ccc(Br)cc2)C1
InChIInChI=1S/C16H23BrN2O2/c1-11(2)9-14(18)16(20)19-7-8-21-15(10-19)12-3-5-13(17)6-4-12/h3-6,11,14-15H,7-10,18H2,1-2H3/t14-,15?/m0/s1
InChIKeyFUPCRORYEZNVGD-MLCCFXAWSA-N
MW355.28 g/mol
LogP2.72
Rot. Bonds4

About (2S)-2-amino-1-[2-(4-bromophenyl)morpholin-4-yl]-4-methylpentan-1-one

(2S)-2-amino-1-[2-(4-bromophenyl)morpholin-4-yl]-4-methylpentan-1-one (PubChem CID 119747734) has the molecular formula C16H23BrN2O2 and a molecular weight of 355.28 g/mol. Its IUPAC name is (2S)-2-amino-1-[2-(4-bromophenyl)morpholin-4-yl]-4-methylpentan-1-one.

Molecular Properties

Compound Name(2S)-2-amino-1-[2-(4-bromophenyl)morpholin-4-yl]-4-methylpentan-1-one
PubChem CID119747734
Molecular FormulaC16H23BrN2O2
Molecular Weight355.28 g/mol
Exact Mass354.09
IUPAC Name(2S)-2-amino-1-[2-(4-bromophenyl)morpholin-4-yl]-4-methylpentan-1-one
SMILESCC(C)C[C@H](N)C(=O)N1CCOC(c2ccc(Br)cc2)C1
InChIInChI=1S/C16H23BrN2O2/c1-11(2)9-14(18)16(20)19-7-8-21-15(10-19)12-3-5-13(17)6-4-12/h3-6,11,14-15H,7-10,18H2,1-2H3/t14-,15?/m0/s1
InChIKeyFUPCRORYEZNVGD-MLCCFXAWSA-N
XLogP2.72
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.28
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-1-[2-(4-bromophenyl)morpholin-4-yl]pentan-1-one
CID 119302691
4-amino-1-[2-(4-bromophenyl)morpholin-4-yl]pentan-1-one;hydrochloride
CID 120561194
(2S)-2-amino-1-[2-(4-chlorophenyl)morpholin-4-yl]pentan-1-one
CID 107569033
(2S)-2-amino-4-methyl-1-(2-methylmorpholin-4-yl)pentan-1-one
CID 61148533
2-amino-1-[2-(3-bromophenyl)morpholin-4-yl]pentan-1-one;hydrochloride
CID 86779755
(2R)-2-amino-1-[2-(4-fluorophenyl)morpholin-4-yl]propan-1-one;hydrochloride
CID 119112319
(2S)-2-amino-1-(2-phenylmorpholin-4-yl)hexan-1-one
CID 103831208
2-amino-3-methoxy-1-(2-phenylmorpholin-4-yl)propan-1-one;hydrochloride
CID 120984965
2-(4-bromophenyl)-N-tert-butylmorpholine-4-carboxamide
CID 110664959
2-bromo-1-[2-(4-fluorophenyl)morpholin-4-yl]propan-1-one
CID 107904527
2-(4-bromophenyl)-N-(2,2-dimethylpropyl)morpholine-4-carboxamide
CID 110664960
4-amino-1-[2-(4-chlorophenyl)morpholin-4-yl]-2-methylbutan-1-one
CID 80543163

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-1-[2-(4-bromophenyl)morpholin-4-yl]-4-methylpentan-1-one?
The IUPAC name of (2S)-2-amino-1-[2-(4-bromophenyl)morpholin-4-yl]-4-methylpentan-1-one (CID 119747734) is (2S)-2-amino-1-[2-(4-bromophenyl)morpholin-4-yl]-4-methylpentan-1-one.
What is the SMILES notation for (2S)-2-amino-1-[2-(4-bromophenyl)morpholin-4-yl]-4-methylpentan-1-one?
The canonical SMILES for (2S)-2-amino-1-[2-(4-bromophenyl)morpholin-4-yl]-4-methylpentan-1-one is CC(C)C[C@H](N)C(=O)N1CCOC(c2ccc(Br)cc2)C1.
What is the InChIKey of (2S)-2-amino-1-[2-(4-bromophenyl)morpholin-4-yl]-4-methylpentan-1-one?
The InChIKey is FUPCRORYEZNVGD-MLCCFXAWSA-N. The full InChI is InChI=1S/C16H23BrN2O2/c1-11(2)9-14(18)16(20)19-7-8-21-15(10-19)12-3-5-13(17)6-4-12/h3-6,11,14-15H,7-10,18H2,1-2H3/t14-,15?/m0/s1.
What are the key properties of (2S)-2-amino-1-[2-(4-bromophenyl)morpholin-4-yl]-4-methylpentan-1-one?
(2S)-2-amino-1-[2-(4-bromophenyl)morpholin-4-yl]-4-methylpentan-1-one has a molecular weight of 355.28 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-1-[2-(4-bromophenyl)morpholin-4-yl]-4-methylpentan-1-one is sourced from PubChem (CID 119747734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).