(3-amino-5-bromo-2-methylphenyl)-(2,2-dimethylmorpholin-4-yl)methanone

C14H19BrN2O2 — CID 107872264

IUPAC(3-amino-5-bromo-2-methylphenyl)-(2,2-dimethylmorpholin-4-yl)methanone
SMILESCc1c(N)cc(Br)cc1C(=O)N1CCOC(C)(C)C1
InChIInChI=1S/C14H19BrN2O2/c1-9-11(6-10(15)7-12(9)16)13(18)17-4-5-19-14(2,3)8-17/h6-7H,4-5,8,16H2,1-3H3
InChIKeyRCJIOPXNEUSTDL-UHFFFAOYSA-N
MW327.22 g/mol
LogP2.59
Rot. Bonds1

About (3-amino-5-bromo-2-methylphenyl)-(2,2-dimethylmorpholin-4-yl)methanone

(3-amino-5-bromo-2-methylphenyl)-(2,2-dimethylmorpholin-4-yl)methanone (PubChem CID 107872264) has the molecular formula C14H19BrN2O2 and a molecular weight of 327.22 g/mol. Its IUPAC name is (3-amino-5-bromo-2-methylphenyl)-(2,2-dimethylmorpholin-4-yl)methanone.

Molecular Properties

Compound Name(3-amino-5-bromo-2-methylphenyl)-(2,2-dimethylmorpholin-4-yl)methanone
PubChem CID107872264
Molecular FormulaC14H19BrN2O2
Molecular Weight327.22 g/mol
Exact Mass326.06
IUPAC Name(3-amino-5-bromo-2-methylphenyl)-(2,2-dimethylmorpholin-4-yl)methanone
SMILESCc1c(N)cc(Br)cc1C(=O)N1CCOC(C)(C)C1
InChIInChI=1S/C14H19BrN2O2/c1-9-11(6-10(15)7-12(9)16)13(18)17-4-5-19-14(2,3)8-17/h6-7H,4-5,8,16H2,1-3H3
InChIKeyRCJIOPXNEUSTDL-UHFFFAOYSA-N
XLogP2.59
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.22
LogP ≤ 52.59
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-methylphenyl)-(2,2-dimethylmorpholin-4-yl)methanone
CID 65307467
(5-bromo-2-hydroxyphenyl)-(2,2-dimethylmorpholin-4-yl)methanone
CID 86981386
(3-amino-5-bromo-2-methylphenyl)-pyrrolidin-1-ylmethanone
CID 107871959
(3-amino-5-bromo-2-methylphenyl)-(3,3-diethylpyrrolidin-1-yl)methanone
CID 107872942
(2-bromo-3-methylphenyl)-(2,2-dimethylmorpholin-4-yl)methanone
CID 67326501
(3,5-diaminophenyl)-(2,2-dimethylmorpholin-4-yl)methanone
CID 61093702
(3-amino-5-bromo-2-methylphenyl)-(3-hydroxyazetidin-1-yl)methanone
CID 107873267
(2,2-dimethylmorpholin-4-yl)-(3-hydroxy-2-methylphenyl)methanone
CID 82793785
(2-bromofuran-3-yl)-(2,2-dimethylmorpholin-4-yl)methanone
CID 106852656
(2-amino-6-methylphenyl)-(2,2-dimethylmorpholin-4-yl)methanone
CID 43592329
(3-amino-5-bromo-2-methylphenyl)-(4-methylsulfonylpiperazin-1-yl)methanone
CID 107872456
(4-amino-3-hydroxyphenyl)-(2,2-dimethylmorpholin-4-yl)methanone
CID 107074174

Frequently Asked Questions

What is the IUPAC name of (3-amino-5-bromo-2-methylphenyl)-(2,2-dimethylmorpholin-4-yl)methanone?
The IUPAC name of (3-amino-5-bromo-2-methylphenyl)-(2,2-dimethylmorpholin-4-yl)methanone (CID 107872264) is (3-amino-5-bromo-2-methylphenyl)-(2,2-dimethylmorpholin-4-yl)methanone.
What is the SMILES notation for (3-amino-5-bromo-2-methylphenyl)-(2,2-dimethylmorpholin-4-yl)methanone?
The canonical SMILES for (3-amino-5-bromo-2-methylphenyl)-(2,2-dimethylmorpholin-4-yl)methanone is Cc1c(N)cc(Br)cc1C(=O)N1CCOC(C)(C)C1.
What is the InChIKey of (3-amino-5-bromo-2-methylphenyl)-(2,2-dimethylmorpholin-4-yl)methanone?
The InChIKey is RCJIOPXNEUSTDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O2/c1-9-11(6-10(15)7-12(9)16)13(18)17-4-5-19-14(2,3)8-17/h6-7H,4-5,8,16H2,1-3H3.
What are the key properties of (3-amino-5-bromo-2-methylphenyl)-(2,2-dimethylmorpholin-4-yl)methanone?
(3-amino-5-bromo-2-methylphenyl)-(2,2-dimethylmorpholin-4-yl)methanone has a molecular weight of 327.22 g/mol, XLogP of 2.59, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-5-bromo-2-methylphenyl)-(2,2-dimethylmorpholin-4-yl)methanone is sourced from PubChem (CID 107872264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).