(2-amino-5-bromophenyl)-(2,2,6,6-tetramethylmorpholin-4-yl)methanone

C15H21BrN2O2 — CID 102744843

IUPAC(2-amino-5-bromophenyl)-(2,2,6,6-tetramethylmorpholin-4-yl)methanone
SMILESCC1(C)CN(C(=O)c2cc(Br)ccc2N)CC(C)(C)O1
InChIInChI=1S/C15H21BrN2O2/c1-14(2)8-18(9-15(3,4)20-14)13(19)11-7-10(16)5-6-12(11)17/h5-7H,8-9,17H2,1-4H3
InChIKeyVMGFVFOXBLRNTM-UHFFFAOYSA-N
MW341.25 g/mol
LogP3.06
Rot. Bonds1

About (2-amino-5-bromophenyl)-(2,2,6,6-tetramethylmorpholin-4-yl)methanone

(2-amino-5-bromophenyl)-(2,2,6,6-tetramethylmorpholin-4-yl)methanone (PubChem CID 102744843) has the molecular formula C15H21BrN2O2 and a molecular weight of 341.25 g/mol. Its IUPAC name is (2-amino-5-bromophenyl)-(2,2,6,6-tetramethylmorpholin-4-yl)methanone.

Molecular Properties

Compound Name(2-amino-5-bromophenyl)-(2,2,6,6-tetramethylmorpholin-4-yl)methanone
PubChem CID102744843
Molecular FormulaC15H21BrN2O2
Molecular Weight341.25 g/mol
Exact Mass340.08
IUPAC Name(2-amino-5-bromophenyl)-(2,2,6,6-tetramethylmorpholin-4-yl)methanone
SMILESCC1(C)CN(C(=O)c2cc(Br)ccc2N)CC(C)(C)O1
InChIInChI=1S/C15H21BrN2O2/c1-14(2)8-18(9-15(3,4)20-14)13(19)11-7-10(16)5-6-12(11)17/h5-7H,8-9,17H2,1-4H3
InChIKeyVMGFVFOXBLRNTM-UHFFFAOYSA-N
XLogP3.06
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.25
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(5-bromo-2-fluorophenyl)-(2,2,6,6-tetramethylmorpholin-4-yl)methanone
CID 102743982
(2,4-diaminophenyl)-(2,2,6,6-tetramethylmorpholin-4-yl)methanone
CID 102742669
(3-amino-4-pyridinyl)-(2,2,6,6-tetramethylmorpholin-4-yl)methanone
CID 102745609
(2-amino-5-bromophenyl)-(3-hydroxyazetidin-1-yl)methanone
CID 107223766
(2,5-dihydroxyphenyl)-(2,2,6,6-tetramethylmorpholin-4-yl)methanone
CID 107723950
(5-bromo-2-hydroxyphenyl)-(2,2-dimethylmorpholin-4-yl)methanone
CID 86981386
(5-bromo-2-methylphenyl)-(2,2-dimethylmorpholin-4-yl)methanone
CID 65307467
(3-amino-5-bromo-2-methylphenyl)-(2,2-dimethylmorpholin-4-yl)methanone
CID 107872264
(4-amino-2-pyridinyl)-(2,2,6,6-tetramethylmorpholin-4-yl)methanone
CID 102745598
1-(2-amino-5-bromobenzoyl)piperidine-4-carboxylic acid
CID 110451174
1-(5-bromo-2-ethylbenzoyl)-3-methylazetidine-3-carboxamide
CID 138023872
(4-amino-3,5-dichlorophenyl)-(2,2,6,6-tetramethylmorpholin-4-yl)methanone
CID 102743680

Frequently Asked Questions

What is the IUPAC name of (2-amino-5-bromophenyl)-(2,2,6,6-tetramethylmorpholin-4-yl)methanone?
The IUPAC name of (2-amino-5-bromophenyl)-(2,2,6,6-tetramethylmorpholin-4-yl)methanone (CID 102744843) is (2-amino-5-bromophenyl)-(2,2,6,6-tetramethylmorpholin-4-yl)methanone.
What is the SMILES notation for (2-amino-5-bromophenyl)-(2,2,6,6-tetramethylmorpholin-4-yl)methanone?
The canonical SMILES for (2-amino-5-bromophenyl)-(2,2,6,6-tetramethylmorpholin-4-yl)methanone is CC1(C)CN(C(=O)c2cc(Br)ccc2N)CC(C)(C)O1.
What is the InChIKey of (2-amino-5-bromophenyl)-(2,2,6,6-tetramethylmorpholin-4-yl)methanone?
The InChIKey is VMGFVFOXBLRNTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2O2/c1-14(2)8-18(9-15(3,4)20-14)13(19)11-7-10(16)5-6-12(11)17/h5-7H,8-9,17H2,1-4H3.
What are the key properties of (2-amino-5-bromophenyl)-(2,2,6,6-tetramethylmorpholin-4-yl)methanone?
(2-amino-5-bromophenyl)-(2,2,6,6-tetramethylmorpholin-4-yl)methanone has a molecular weight of 341.25 g/mol, XLogP of 3.06, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-5-bromophenyl)-(2,2,6,6-tetramethylmorpholin-4-yl)methanone is sourced from PubChem (CID 102744843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).