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

C15H23BrN2O — CID 102742901

IUPAC[3-bromo-4-(2,2,6,6-tetramethylmorpholin-4-yl)phenyl]methanamine
SMILESCC1(C)CN(c2ccc(CN)cc2Br)CC(C)(C)O1
InChIInChI=1S/C15H23BrN2O/c1-14(2)9-18(10-15(3,4)19-14)13-6-5-11(8-17)7-12(13)16/h5-7H,8-10,17H2,1-4H3
InChIKeyUFOZKCYTUTVIQC-UHFFFAOYSA-N
MW327.27 g/mol
LogP3.30
Rot. Bonds2

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

[3-bromo-4-(2,2,6,6-tetramethylmorpholin-4-yl)phenyl]methanamine (PubChem CID 102742901) has the molecular formula C15H23BrN2O and a molecular weight of 327.27 g/mol. Its IUPAC name is [3-bromo-4-(2,2,6,6-tetramethylmorpholin-4-yl)phenyl]methanamine.

Molecular Properties

Compound Name[3-bromo-4-(2,2,6,6-tetramethylmorpholin-4-yl)phenyl]methanamine
PubChem CID102742901
Molecular FormulaC15H23BrN2O
Molecular Weight327.27 g/mol
Exact Mass326.10
IUPAC Name[3-bromo-4-(2,2,6,6-tetramethylmorpholin-4-yl)phenyl]methanamine
SMILESCC1(C)CN(c2ccc(CN)cc2Br)CC(C)(C)O1
InChIInChI=1S/C15H23BrN2O/c1-14(2)9-18(10-15(3,4)19-14)13-6-5-11(8-17)7-12(13)16/h5-7H,8-10,17H2,1-4H3
InChIKeyUFOZKCYTUTVIQC-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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Frequently Asked Questions

What is the IUPAC name of [3-bromo-4-(2,2,6,6-tetramethylmorpholin-4-yl)phenyl]methanamine?
The IUPAC name of [3-bromo-4-(2,2,6,6-tetramethylmorpholin-4-yl)phenyl]methanamine (CID 102742901) is [3-bromo-4-(2,2,6,6-tetramethylmorpholin-4-yl)phenyl]methanamine.
What is the SMILES notation for [3-bromo-4-(2,2,6,6-tetramethylmorpholin-4-yl)phenyl]methanamine?
The canonical SMILES for [3-bromo-4-(2,2,6,6-tetramethylmorpholin-4-yl)phenyl]methanamine is CC1(C)CN(c2ccc(CN)cc2Br)CC(C)(C)O1.
What is the InChIKey of [3-bromo-4-(2,2,6,6-tetramethylmorpholin-4-yl)phenyl]methanamine?
The InChIKey is UFOZKCYTUTVIQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2O/c1-14(2)9-18(10-15(3,4)19-14)13-6-5-11(8-17)7-12(13)16/h5-7H,8-10,17H2,1-4H3.
What are the key properties of [3-bromo-4-(2,2,6,6-tetramethylmorpholin-4-yl)phenyl]methanamine?
[3-bromo-4-(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-4-(2,2,6,6-tetramethylmorpholin-4-yl)phenyl]methanamine is sourced from PubChem (CID 102742901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).