[5-bromo-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]methanamine

C12H18BrN3O — CID 104960830

IUPAC[5-bromo-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]methanamine
SMILESC[C@@H]1CN(c2ncc(Br)cc2CN)C[C@H](C)O1
InChIInChI=1S/C12H18BrN3O/c1-8-6-16(7-9(2)17-8)12-10(4-14)3-11(13)5-15-12/h3,5,8-9H,4,6-7,14H2,1-2H3/t8-,9+
InChIKeyKMGNAUZVTNAHPN-DTORHVGOSA-N
MW300.20 g/mol
LogP1.92
Rot. Bonds2

About [5-bromo-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]methanamine

[5-bromo-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]methanamine (PubChem CID 104960830) has the molecular formula C12H18BrN3O and a molecular weight of 300.20 g/mol. Its IUPAC name is [5-bromo-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]methanamine.

Molecular Properties

Compound Name[5-bromo-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]methanamine
PubChem CID104960830
Molecular FormulaC12H18BrN3O
Molecular Weight300.20 g/mol
Exact Mass299.06
IUPAC Name[5-bromo-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]methanamine
SMILESC[C@@H]1CN(c2ncc(Br)cc2CN)C[C@H](C)O1
InChIInChI=1S/C12H18BrN3O/c1-8-6-16(7-9(2)17-8)12-10(4-14)3-11(13)5-15-12/h3,5,8-9H,4,6-7,14H2,1-2H3/t8-,9+
InChIKeyKMGNAUZVTNAHPN-DTORHVGOSA-N
XLogP1.92
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.20
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[5-bromo-2-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]propan-2-amine
CID 62284579
[4-(5-bromo-3-chloro-2-pyridinyl)-6-methylmorpholin-2-yl]methanamine
CID 103584271
[2-(azetidin-1-yl)-5-bromo-3-pyridinyl]methanamine
CID 130548423
[5-bromo-2-(2,5-dihydropyrrol-1-yl)-3-pyridinyl]methanamine
CID 130625562
[5-bromo-2-(3-methoxypiperidin-1-yl)-3-pyridinyl]methanamine
CID 102967838
[5-bromo-2-(4-ethylpiperidin-1-yl)-3-pyridinyl]methanamine
CID 62285532
[6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-5-methyl-3-pyridinyl]methanamine
CID 104959500
[5-bromo-2-(3-ethylpiperidin-1-yl)-3-pyridinyl]methanamine
CID 62285485
4-(5-bromo-3-chloro-2-pyridinyl)-2-(chloromethyl)-6-methylmorpholine
CID 103584209
[5-bromo-2-(3-morpholin-4-ylpyrrolidin-1-yl)-3-pyridinyl]methanamine
CID 63170938
4-(5-bromo-3-chloro-2-pyridinyl)-2-(bromomethyl)-6-methylmorpholine
CID 103584210
[5-bromo-2-(2-methylpiperidin-1-yl)-3-pyridinyl]methanamine
CID 62299979

Frequently Asked Questions

What is the IUPAC name of [5-bromo-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]methanamine?
The IUPAC name of [5-bromo-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]methanamine (CID 104960830) is [5-bromo-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]methanamine.
What is the SMILES notation for [5-bromo-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]methanamine?
The canonical SMILES for [5-bromo-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]methanamine is C[C@@H]1CN(c2ncc(Br)cc2CN)C[C@H](C)O1.
What is the InChIKey of [5-bromo-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]methanamine?
The InChIKey is KMGNAUZVTNAHPN-DTORHVGOSA-N. The full InChI is InChI=1S/C12H18BrN3O/c1-8-6-16(7-9(2)17-8)12-10(4-14)3-11(13)5-15-12/h3,5,8-9H,4,6-7,14H2,1-2H3/t8-,9+.
What are the key properties of [5-bromo-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]methanamine?
[5-bromo-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]methanamine has a molecular weight of 300.20 g/mol, XLogP of 1.92, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-bromo-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]methanamine is sourced from PubChem (CID 104960830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).