2-bromo-5-[(2,2-dimethylmorpholin-4-yl)methyl]aniline

C13H19BrN2O — CID 115557043

IUPAC2-bromo-5-[(2,2-dimethylmorpholin-4-yl)methyl]aniline
SMILESCC1(C)CN(Cc2ccc(Br)c(N)c2)CCO1
InChIInChI=1S/C13H19BrN2O/c1-13(2)9-16(5-6-17-13)8-10-3-4-11(14)12(15)7-10/h3-4,7H,5-6,8-9,15H2,1-2H3
InChIKeyASCDCJXPPRJGQS-UHFFFAOYSA-N
MW299.21 g/mol
LogP2.64
Rot. Bonds2

About 2-bromo-5-[(2,2-dimethylmorpholin-4-yl)methyl]aniline

2-bromo-5-[(2,2-dimethylmorpholin-4-yl)methyl]aniline (PubChem CID 115557043) has the molecular formula C13H19BrN2O and a molecular weight of 299.21 g/mol. Its IUPAC name is 2-bromo-5-[(2,2-dimethylmorpholin-4-yl)methyl]aniline.

Molecular Properties

Compound Name2-bromo-5-[(2,2-dimethylmorpholin-4-yl)methyl]aniline
PubChem CID115557043
Molecular FormulaC13H19BrN2O
Molecular Weight299.21 g/mol
Exact Mass298.07
IUPAC Name2-bromo-5-[(2,2-dimethylmorpholin-4-yl)methyl]aniline
SMILESCC1(C)CN(Cc2ccc(Br)c(N)c2)CCO1
InChIInChI=1S/C13H19BrN2O/c1-13(2)9-16(5-6-17-13)8-10-3-4-11(14)12(15)7-10/h3-4,7H,5-6,8-9,15H2,1-2H3
InChIKeyASCDCJXPPRJGQS-UHFFFAOYSA-N
XLogP2.64
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.21
LogP ≤ 52.64
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

4-[(2,2-dimethylmorpholin-4-yl)methyl]-2-methylaniline
CID 43592942
4-[(2,2-dimethylmorpholin-4-yl)methyl]-2-iodoaniline
CID 112750999
5-[(2,2-dimethylmorpholin-4-yl)methyl]pyridin-2-amine
CID 62184542
2-chloro-4-[(2,2-dimethylmorpholin-4-yl)methyl]phenol
CID 82976790
4-[(5-bromothiophen-3-yl)methyl]-2,2-dimethylmorpholine
CID 86993054
2-bromo-3-[(2,2-dimethylmorpholin-4-yl)methyl]aniline
CID 114048476
4-bromo-3-[(2,2-dimethylmorpholin-4-yl)methyl]phenol
CID 82976791
[5-[(2,2-dimethylmorpholin-4-yl)methyl]-2-methoxyphenyl]methanamine
CID 65340796
4-[(3-amino-4-bromophenyl)methyl]morpholine-2-carbonitrile
CID 113335147
N-[[3-bromo-4-[(2,2-dimethylmorpholin-4-yl)methyl]phenyl]methyl]ethanamine
CID 102769860
2-bromo-5-[(4-methylpiperidin-1-yl)methyl]aniline
CID 115556945
2-bromo-5-[(4-propylpiperazin-1-yl)methyl]aniline
CID 115556962

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-[(2,2-dimethylmorpholin-4-yl)methyl]aniline?
The IUPAC name of 2-bromo-5-[(2,2-dimethylmorpholin-4-yl)methyl]aniline (CID 115557043) is 2-bromo-5-[(2,2-dimethylmorpholin-4-yl)methyl]aniline.
What is the SMILES notation for 2-bromo-5-[(2,2-dimethylmorpholin-4-yl)methyl]aniline?
The canonical SMILES for 2-bromo-5-[(2,2-dimethylmorpholin-4-yl)methyl]aniline is CC1(C)CN(Cc2ccc(Br)c(N)c2)CCO1.
What is the InChIKey of 2-bromo-5-[(2,2-dimethylmorpholin-4-yl)methyl]aniline?
The InChIKey is ASCDCJXPPRJGQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O/c1-13(2)9-16(5-6-17-13)8-10-3-4-11(14)12(15)7-10/h3-4,7H,5-6,8-9,15H2,1-2H3.
What are the key properties of 2-bromo-5-[(2,2-dimethylmorpholin-4-yl)methyl]aniline?
2-bromo-5-[(2,2-dimethylmorpholin-4-yl)methyl]aniline has a molecular weight of 299.21 g/mol, XLogP of 2.64, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-[(2,2-dimethylmorpholin-4-yl)methyl]aniline is sourced from PubChem (CID 115557043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).