4-bromo-3-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]aniline

C15H23BrN2O — CID 102744368

IUPAC4-bromo-3-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]aniline
SMILESCC1(C)CN(Cc2cc(N)ccc2Br)CC(C)(C)O1
InChIInChI=1S/C15H23BrN2O/c1-14(2)9-18(10-15(3,4)19-14)8-11-7-12(17)5-6-13(11)16/h5-7H,8-10,17H2,1-4H3
InChIKeyYRDLLEPZRLAELZ-UHFFFAOYSA-N
MW327.27 g/mol
LogP3.42
Rot. Bonds2

About 4-bromo-3-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]aniline

4-bromo-3-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]aniline (PubChem CID 102744368) has the molecular formula C15H23BrN2O and a molecular weight of 327.27 g/mol. Its IUPAC name is 4-bromo-3-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]aniline.

Molecular Properties

Compound Name4-bromo-3-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]aniline
PubChem CID102744368
Molecular FormulaC15H23BrN2O
Molecular Weight327.27 g/mol
Exact Mass326.10
IUPAC Name4-bromo-3-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]aniline
SMILESCC1(C)CN(Cc2cc(N)ccc2Br)CC(C)(C)O1
InChIInChI=1S/C15H23BrN2O/c1-14(2)9-18(10-15(3,4)19-14)8-11-7-12(17)5-6-13(11)16/h5-7H,8-10,17H2,1-4H3
InChIKeyYRDLLEPZRLAELZ-UHFFFAOYSA-N
XLogP3.42
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.27
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-bromo-3-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(2-bromo-5-methoxyphenyl)methyl]-2,2,6,6-tetramethylmorpholine
CID 102745320
4-bromo-3-[(4-propylpiperazin-1-yl)methyl]aniline
CID 113281279
4-bromo-3-[(4-propan-2-ylpiperazin-1-yl)methyl]aniline
CID 113281289
2-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]-3H-benzimidazol-5-amine
CID 102742944
4-bromo-3-[(4-ethylpiperidin-1-yl)methyl]aniline
CID 113281299
3-bromo-4-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]benzoic acid
CID 102768228
4-[(2-bromo-3-methylphenyl)methyl]-2,2,6,6-tetramethylmorpholine
CID 165487496
4-bromo-3-[(4-methoxypiperidin-1-yl)methyl]aniline
CID 113281282
4-bromo-3-[(2,2-dimethylmorpholin-4-yl)methyl]phenol
CID 82976791
2-nitro-6-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]aniline
CID 107351631
4-[(3-bromo-4-methoxyphenyl)methyl]-2,2,6,6-tetramethylmorpholine
CID 102745328
4-bromo-3-[(2,6-dimethylpiperidin-1-yl)methyl]aniline
CID 113281280

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]aniline?
The IUPAC name of 4-bromo-3-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]aniline (CID 102744368) is 4-bromo-3-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]aniline.
What is the SMILES notation for 4-bromo-3-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]aniline?
The canonical SMILES for 4-bromo-3-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]aniline is CC1(C)CN(Cc2cc(N)ccc2Br)CC(C)(C)O1.
What is the InChIKey of 4-bromo-3-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]aniline?
The InChIKey is YRDLLEPZRLAELZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2O/c1-14(2)9-18(10-15(3,4)19-14)8-11-7-12(17)5-6-13(11)16/h5-7H,8-10,17H2,1-4H3.
What are the key properties of 4-bromo-3-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]aniline?
4-bromo-3-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]aniline has a molecular weight of 327.27 g/mol, XLogP of 3.42, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]aniline is sourced from PubChem (CID 102744368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).