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

C15H23BrN2O — CID 102742897

IUPAC[2-bromo-6-(2,2,6,6-tetramethylmorpholin-4-yl)phenyl]methanamine
SMILESCC1(C)CN(c2cccc(Br)c2CN)CC(C)(C)O1
InChIInChI=1S/C15H23BrN2O/c1-14(2)9-18(10-15(3,4)19-14)13-7-5-6-12(16)11(13)8-17/h5-7H,8-10,17H2,1-4H3
InChIKeyARUVLVKOCXEEIO-UHFFFAOYSA-N
MW327.27 g/mol
LogP3.30
Rot. Bonds2

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

[2-bromo-6-(2,2,6,6-tetramethylmorpholin-4-yl)phenyl]methanamine (PubChem CID 102742897) has the molecular formula C15H23BrN2O and a molecular weight of 327.27 g/mol. Its IUPAC name is [2-bromo-6-(2,2,6,6-tetramethylmorpholin-4-yl)phenyl]methanamine.

Molecular Properties

Compound Name[2-bromo-6-(2,2,6,6-tetramethylmorpholin-4-yl)phenyl]methanamine
PubChem CID102742897
Molecular FormulaC15H23BrN2O
Molecular Weight327.27 g/mol
Exact Mass326.10
IUPAC Name[2-bromo-6-(2,2,6,6-tetramethylmorpholin-4-yl)phenyl]methanamine
SMILESCC1(C)CN(c2cccc(Br)c2CN)CC(C)(C)O1
InChIInChI=1S/C15H23BrN2O/c1-14(2)9-18(10-15(3,4)19-14)13-7-5-6-12(16)11(13)8-17/h5-7H,8-10,17H2,1-4H3
InChIKeyARUVLVKOCXEEIO-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

[2-chloro-6-(2,2,6,6-tetramethylmorpholin-4-yl)phenyl]methanamine
CID 102742908
[2-bromo-6-(4,4-dimethylpiperidin-1-yl)phenyl]methanamine
CID 114879651
[3-bromo-4-(2,2,6,6-tetramethylmorpholin-4-yl)phenyl]methanamine
CID 102742901
[4-bromo-2-(2,2,6,6-tetramethylmorpholin-4-yl)phenyl]methanamine
CID 102742898
1-[2-(aminomethyl)-3-bromophenyl]piperidin-4-ol
CID 114879416
2-fluoro-6-(2,2,6,6-tetramethylmorpholin-4-yl)aniline
CID 102742805
[2-bromo-6-(3-ethylpyrrolidin-1-yl)phenyl]methanamine
CID 114879785
1-[2-(aminomethyl)-3-bromophenyl]-3-methylpiperidin-4-ol
CID 114879806
1-[4-[2-(aminomethyl)-3-bromophenyl]-1,4-diazepan-1-yl]ethanone
CID 114879594
[2-bromo-6-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)phenyl]methanamine
CID 114879674
3-bromo-4-(2,2,6,6-tetramethylmorpholin-4-yl)benzenecarbothioamide
CID 102743940
[2-bromo-6-(4-pyridin-2-ylpiperazin-1-yl)phenyl]methanamine
CID 114879434

Frequently Asked Questions

What is the IUPAC name of [2-bromo-6-(2,2,6,6-tetramethylmorpholin-4-yl)phenyl]methanamine?
The IUPAC name of [2-bromo-6-(2,2,6,6-tetramethylmorpholin-4-yl)phenyl]methanamine (CID 102742897) is [2-bromo-6-(2,2,6,6-tetramethylmorpholin-4-yl)phenyl]methanamine.
What is the SMILES notation for [2-bromo-6-(2,2,6,6-tetramethylmorpholin-4-yl)phenyl]methanamine?
The canonical SMILES for [2-bromo-6-(2,2,6,6-tetramethylmorpholin-4-yl)phenyl]methanamine is CC1(C)CN(c2cccc(Br)c2CN)CC(C)(C)O1.
What is the InChIKey of [2-bromo-6-(2,2,6,6-tetramethylmorpholin-4-yl)phenyl]methanamine?
The InChIKey is ARUVLVKOCXEEIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2O/c1-14(2)9-18(10-15(3,4)19-14)13-7-5-6-12(16)11(13)8-17/h5-7H,8-10,17H2,1-4H3.
What are the key properties of [2-bromo-6-(2,2,6,6-tetramethylmorpholin-4-yl)phenyl]methanamine?
[2-bromo-6-(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 [2-bromo-6-(2,2,6,6-tetramethylmorpholin-4-yl)phenyl]methanamine is sourced from PubChem (CID 102742897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).