N-[[4-(3-bromo-5-methyl-2-pyridinyl)morpholin-3-yl]methyl]ethanamine

C13H20BrN3O — CID 105368651

IUPACN-[[4-(3-bromo-5-methyl-2-pyridinyl)morpholin-3-yl]methyl]ethanamine
SMILESCCNCC1COCCN1c1ncc(C)cc1Br
InChIInChI=1S/C13H20BrN3O/c1-3-15-8-11-9-18-5-4-17(11)13-12(14)6-10(2)7-16-13/h6-7,11,15H,3-5,8-9H2,1-2H3
InChIKeyPIZMDJATSUMGDI-UHFFFAOYSA-N
MW314.23 g/mol
LogP1.97
Rot. Bonds4

About N-[[4-(3-bromo-5-methyl-2-pyridinyl)morpholin-3-yl]methyl]ethanamine

N-[[4-(3-bromo-5-methyl-2-pyridinyl)morpholin-3-yl]methyl]ethanamine (PubChem CID 105368651) has the molecular formula C13H20BrN3O and a molecular weight of 314.23 g/mol. Its IUPAC name is N-[[4-(3-bromo-5-methyl-2-pyridinyl)morpholin-3-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[4-(3-bromo-5-methyl-2-pyridinyl)morpholin-3-yl]methyl]ethanamine
PubChem CID105368651
Molecular FormulaC13H20BrN3O
Molecular Weight314.23 g/mol
Exact Mass313.08
IUPAC NameN-[[4-(3-bromo-5-methyl-2-pyridinyl)morpholin-3-yl]methyl]ethanamine
SMILESCCNCC1COCCN1c1ncc(C)cc1Br
InChIInChI=1S/C13H20BrN3O/c1-3-15-8-11-9-18-5-4-17(11)13-12(14)6-10(2)7-16-13/h6-7,11,15H,3-5,8-9H2,1-2H3
InChIKeyPIZMDJATSUMGDI-UHFFFAOYSA-N
XLogP1.97
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.23
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(3-bromo-5-methyl-2-pyridinyl)morpholin-3-yl]methyl]ethanamine?
The IUPAC name of N-[[4-(3-bromo-5-methyl-2-pyridinyl)morpholin-3-yl]methyl]ethanamine (CID 105368651) is N-[[4-(3-bromo-5-methyl-2-pyridinyl)morpholin-3-yl]methyl]ethanamine.
What is the SMILES notation for N-[[4-(3-bromo-5-methyl-2-pyridinyl)morpholin-3-yl]methyl]ethanamine?
The canonical SMILES for N-[[4-(3-bromo-5-methyl-2-pyridinyl)morpholin-3-yl]methyl]ethanamine is CCNCC1COCCN1c1ncc(C)cc1Br.
What is the InChIKey of N-[[4-(3-bromo-5-methyl-2-pyridinyl)morpholin-3-yl]methyl]ethanamine?
The InChIKey is PIZMDJATSUMGDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrN3O/c1-3-15-8-11-9-18-5-4-17(11)13-12(14)6-10(2)7-16-13/h6-7,11,15H,3-5,8-9H2,1-2H3.
What are the key properties of N-[[4-(3-bromo-5-methyl-2-pyridinyl)morpholin-3-yl]methyl]ethanamine?
N-[[4-(3-bromo-5-methyl-2-pyridinyl)morpholin-3-yl]methyl]ethanamine has a molecular weight of 314.23 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(3-bromo-5-methyl-2-pyridinyl)morpholin-3-yl]methyl]ethanamine is sourced from PubChem (CID 105368651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).