2-[(4-bromo-2-chlorophenyl)methylamino]-1-morpholin-4-ylpropan-1-one

C14H18BrClN2O2 — CID 115595203

IUPAC2-[(4-bromo-2-chlorophenyl)methylamino]-1-morpholin-4-ylpropan-1-one
SMILESCC(NCc1ccc(Br)cc1Cl)C(=O)N1CCOCC1
InChIInChI=1S/C14H18BrClN2O2/c1-10(14(19)18-4-6-20-7-5-18)17-9-11-2-3-12(15)8-13(11)16/h2-3,8,10,17H,4-7,9H2,1H3
InChIKeyYCXPWLKIQQGTAO-UHFFFAOYSA-N
MW361.67 g/mol
LogP2.44
Rot. Bonds4

About 2-[(4-bromo-2-chlorophenyl)methylamino]-1-morpholin-4-ylpropan-1-one

2-[(4-bromo-2-chlorophenyl)methylamino]-1-morpholin-4-ylpropan-1-one (PubChem CID 115595203) has the molecular formula C14H18BrClN2O2 and a molecular weight of 361.67 g/mol. Its IUPAC name is 2-[(4-bromo-2-chlorophenyl)methylamino]-1-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name2-[(4-bromo-2-chlorophenyl)methylamino]-1-morpholin-4-ylpropan-1-one
PubChem CID115595203
Molecular FormulaC14H18BrClN2O2
Molecular Weight361.67 g/mol
Exact Mass360.02
IUPAC Name2-[(4-bromo-2-chlorophenyl)methylamino]-1-morpholin-4-ylpropan-1-one
SMILESCC(NCc1ccc(Br)cc1Cl)C(=O)N1CCOCC1
InChIInChI=1S/C14H18BrClN2O2/c1-10(14(19)18-4-6-20-7-5-18)17-9-11-2-3-12(15)8-13(11)16/h2-3,8,10,17H,4-7,9H2,1H3
InChIKeyYCXPWLKIQQGTAO-UHFFFAOYSA-N
XLogP2.44
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.67
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-bromo-2-chlorophenyl)methylamino]-1-piperidin-1-ylpropan-1-one
CID 115652632
2-[(2-chloro-4-methylphenyl)methylamino]-1-pyrrolidin-1-ylpropan-1-one
CID 106863116
2-[(5-chlorofuran-2-yl)methylamino]-1-morpholin-4-ylpropan-1-one
CID 112683112
2-[(3-chloro-4-methoxyphenyl)methylamino]-1-morpholin-4-ylpropan-1-one
CID 115653757
2-[(2-fluoro-4-methoxyphenyl)methylamino]-1-morpholin-4-ylpropan-1-one
CID 103757269
2-[(2,5-dimethylthiophen-3-yl)methylamino]-1-morpholin-4-ylpropan-1-one
CID 115663838
3-chloro-4-[[(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)amino]methyl]benzonitrile
CID 102665017
2-[(4-bromo-2-chlorophenyl)methylamino]-N-propylpropanamide
CID 113242861
(2R)-2-[(5-bromo-4-methylthiophen-2-yl)methylamino]-1-morpholin-4-ylpropan-1-one
CID 97230401
2-[(4-bromo-5-methylthiophen-2-yl)methylamino]-1-morpholin-4-ylpropan-1-one
CID 102837335
1-(azepan-1-yl)-2-[(2-chlorophenyl)methylamino]propan-1-one
CID 43087131
2-[(4-fluorophenyl)methylamino]-1-morpholin-4-ylpropan-1-one
CID 43083712

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromo-2-chlorophenyl)methylamino]-1-morpholin-4-ylpropan-1-one?
The IUPAC name of 2-[(4-bromo-2-chlorophenyl)methylamino]-1-morpholin-4-ylpropan-1-one (CID 115595203) is 2-[(4-bromo-2-chlorophenyl)methylamino]-1-morpholin-4-ylpropan-1-one.
What is the SMILES notation for 2-[(4-bromo-2-chlorophenyl)methylamino]-1-morpholin-4-ylpropan-1-one?
The canonical SMILES for 2-[(4-bromo-2-chlorophenyl)methylamino]-1-morpholin-4-ylpropan-1-one is CC(NCc1ccc(Br)cc1Cl)C(=O)N1CCOCC1.
What is the InChIKey of 2-[(4-bromo-2-chlorophenyl)methylamino]-1-morpholin-4-ylpropan-1-one?
The InChIKey is YCXPWLKIQQGTAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrClN2O2/c1-10(14(19)18-4-6-20-7-5-18)17-9-11-2-3-12(15)8-13(11)16/h2-3,8,10,17H,4-7,9H2,1H3.
What are the key properties of 2-[(4-bromo-2-chlorophenyl)methylamino]-1-morpholin-4-ylpropan-1-one?
2-[(4-bromo-2-chlorophenyl)methylamino]-1-morpholin-4-ylpropan-1-one has a molecular weight of 361.67 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromo-2-chlorophenyl)methylamino]-1-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 115595203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).