[3-bromo-5-(2,2,6,6-tetramethylmorpholin-4-yl)phenyl]methanamine

C15H23BrN2O — CID 102814387

IUPAC[3-bromo-5-(2,2,6,6-tetramethylmorpholin-4-yl)phenyl]methanamine
SMILESCC1(C)CN(c2cc(Br)cc(CN)c2)CC(C)(C)O1
InChIInChI=1S/C15H23BrN2O/c1-14(2)9-18(10-15(3,4)19-14)13-6-11(8-17)5-12(16)7-13/h5-7H,8-10,17H2,1-4H3
InChIKeyXUFBDOZCPJRYAC-UHFFFAOYSA-N
MW327.27 g/mol
LogP3.30
Rot. Bonds2

About [3-bromo-5-(2,2,6,6-tetramethylmorpholin-4-yl)phenyl]methanamine

[3-bromo-5-(2,2,6,6-tetramethylmorpholin-4-yl)phenyl]methanamine (PubChem CID 102814387) has the molecular formula C15H23BrN2O and a molecular weight of 327.27 g/mol. Its IUPAC name is [3-bromo-5-(2,2,6,6-tetramethylmorpholin-4-yl)phenyl]methanamine.

Molecular Properties

Compound Name[3-bromo-5-(2,2,6,6-tetramethylmorpholin-4-yl)phenyl]methanamine
PubChem CID102814387
Molecular FormulaC15H23BrN2O
Molecular Weight327.27 g/mol
Exact Mass326.10
IUPAC Name[3-bromo-5-(2,2,6,6-tetramethylmorpholin-4-yl)phenyl]methanamine
SMILESCC1(C)CN(c2cc(Br)cc(CN)c2)CC(C)(C)O1
InChIInChI=1S/C15H23BrN2O/c1-14(2)9-18(10-15(3,4)19-14)13-6-11(8-17)5-12(16)7-13/h5-7H,8-10,17H2,1-4H3
InChIKeyXUFBDOZCPJRYAC-UHFFFAOYSA-N
XLogP3.30
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 ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-Bromo-3-methylphenyl)morpholine
CID 66806842
N-[(3-bromophenyl)methyl]-4-morpholin-4-ylaniline
CID 18531298
4-(3-Bromo-4-methylphenyl)morpholine
CID 79021519
Benzenamine, 2-bromo-4-(4-morpholinyl)-6-(trifluoromethyl)-
CID 67405904
4-(3-Bromo-5-(trifluoromethyl)phenyl)morpholine
CID 68775236
4-[3-Bromo-5-(2,2,2-trifluoroethyl)phenyl]morpholine
CID 89792778
1-(3-Bromo-2-fluoro-5-methylphenyl)-4-(oxetan-3-yl)piperazine
CID 124105091
2-bromo-N-butyl-4-morpholin-4-yl-6-(trifluoromethyl)aniline
CID 151430368
4-[5-Bromo-3-(bromomethyl)-2-fluorophenyl]morpholine
CID 177331336
4-[3-Bromo-5-(bromomethyl)-2-fluorophenyl]morpholine
CID 177331450
1-[3-bromo-5-(trifluoromethyl)phenyl]-N-methylpiperidin-4-amine
CID 65488854
3-bromo-N-[2-(1-methylpiperidin-2-yl)ethyl]-5-(trifluoromethyl)aniline
CID 65489236

Frequently Asked Questions

What is the IUPAC name of [3-bromo-5-(2,2,6,6-tetramethylmorpholin-4-yl)phenyl]methanamine?
The IUPAC name of [3-bromo-5-(2,2,6,6-tetramethylmorpholin-4-yl)phenyl]methanamine (CID 102814387) is [3-bromo-5-(2,2,6,6-tetramethylmorpholin-4-yl)phenyl]methanamine.
What is the SMILES notation for [3-bromo-5-(2,2,6,6-tetramethylmorpholin-4-yl)phenyl]methanamine?
The canonical SMILES for [3-bromo-5-(2,2,6,6-tetramethylmorpholin-4-yl)phenyl]methanamine is CC1(C)CN(c2cc(Br)cc(CN)c2)CC(C)(C)O1.
What is the InChIKey of [3-bromo-5-(2,2,6,6-tetramethylmorpholin-4-yl)phenyl]methanamine?
The InChIKey is XUFBDOZCPJRYAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2O/c1-14(2)9-18(10-15(3,4)19-14)13-6-11(8-17)5-12(16)7-13/h5-7H,8-10,17H2,1-4H3.
What are the key properties of [3-bromo-5-(2,2,6,6-tetramethylmorpholin-4-yl)phenyl]methanamine?
[3-bromo-5-(2,2,6,6-tetramethylmorpholin-4-yl)phenyl]methanamine has a molecular weight of 327.27 g/mol, XLogP of 3.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-bromo-5-(2,2,6,6-tetramethylmorpholin-4-yl)phenyl]methanamine is sourced from PubChem (CID 102814387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).