N-[[2-(5-bromo-2-pyridinyl)oxolan-3-yl]methyl]-2-methoxyethanamine

C13H19BrN2O2 — CID 113394148

IUPACN-[[2-(5-bromo-2-pyridinyl)oxolan-3-yl]methyl]-2-methoxyethanamine
SMILESCOCCNCC1CCOC1c1ccc(Br)cn1
InChIInChI=1S/C13H19BrN2O2/c1-17-7-5-15-8-10-4-6-18-13(10)12-3-2-11(14)9-16-12/h2-3,9-10,13,15H,4-8H2,1H3
InChIKeyDZVDHQMVOSPALY-UHFFFAOYSA-N
MW315.21 g/mol
LogP2.16
Rot. Bonds6

About N-[[2-(5-bromo-2-pyridinyl)oxolan-3-yl]methyl]-2-methoxyethanamine

N-[[2-(5-bromo-2-pyridinyl)oxolan-3-yl]methyl]-2-methoxyethanamine (PubChem CID 113394148) has the molecular formula C13H19BrN2O2 and a molecular weight of 315.21 g/mol. Its IUPAC name is N-[[2-(5-bromo-2-pyridinyl)oxolan-3-yl]methyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[[2-(5-bromo-2-pyridinyl)oxolan-3-yl]methyl]-2-methoxyethanamine
PubChem CID113394148
Molecular FormulaC13H19BrN2O2
Molecular Weight315.21 g/mol
Exact Mass314.06
IUPAC NameN-[[2-(5-bromo-2-pyridinyl)oxolan-3-yl]methyl]-2-methoxyethanamine
SMILESCOCCNCC1CCOC1c1ccc(Br)cn1
InChIInChI=1S/C13H19BrN2O2/c1-17-7-5-15-8-10-4-6-18-13(10)12-3-2-11(14)9-16-12/h2-3,9-10,13,15H,4-8H2,1H3
InChIKeyDZVDHQMVOSPALY-UHFFFAOYSA-N
XLogP2.16
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.21
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[2-(4-bromophenyl)oxolan-3-yl]methyl]-2-methoxyethanamine
CID 79365254
N-[[2-(2-bromophenyl)oxolan-3-yl]methyl]-2-methoxyethanamine
CID 79365257
2-methoxy-N-[(2-pyridin-3-yloxolan-3-yl)methyl]ethanamine
CID 79365253
N-[[2-(4-bromo-3-fluorophenyl)oxolan-3-yl]methyl]-2-methoxyethanamine
CID 81442199
N-[[2-(3,5-dimethoxyphenyl)oxolan-3-yl]methyl]-2-methoxyethanamine
CID 79370684
2-methoxy-N-[[2-(3-propan-2-ylimidazol-4-yl)oxolan-3-yl]methyl]ethanamine
CID 79364978
N-[(2-pyrimidin-4-yloxolan-3-yl)methyl]propan-1-amine
CID 79368820
N-[[2-(3-chloro-2-fluorophenyl)oxolan-3-yl]methyl]-2-methoxyethanamine
CID 114489396
2-methoxy-N-[(2-pyridin-3-yloxan-3-yl)methyl]ethanamine
CID 79365670
N-[[2-(4-bromophenyl)oxolan-3-yl]methyl]propan-1-amine
CID 79367591
N-[[2-(2,5-dimethylthiophen-3-yl)oxolan-3-yl]methyl]-2-methoxyethanamine
CID 79365888
5-bromo-2-(oxetan-2-yl)pyridine
CID 158241460

Frequently Asked Questions

What is the IUPAC name of N-[[2-(5-bromo-2-pyridinyl)oxolan-3-yl]methyl]-2-methoxyethanamine?
The IUPAC name of N-[[2-(5-bromo-2-pyridinyl)oxolan-3-yl]methyl]-2-methoxyethanamine (CID 113394148) is N-[[2-(5-bromo-2-pyridinyl)oxolan-3-yl]methyl]-2-methoxyethanamine.
What is the SMILES notation for N-[[2-(5-bromo-2-pyridinyl)oxolan-3-yl]methyl]-2-methoxyethanamine?
The canonical SMILES for N-[[2-(5-bromo-2-pyridinyl)oxolan-3-yl]methyl]-2-methoxyethanamine is COCCNCC1CCOC1c1ccc(Br)cn1.
What is the InChIKey of N-[[2-(5-bromo-2-pyridinyl)oxolan-3-yl]methyl]-2-methoxyethanamine?
The InChIKey is DZVDHQMVOSPALY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O2/c1-17-7-5-15-8-10-4-6-18-13(10)12-3-2-11(14)9-16-12/h2-3,9-10,13,15H,4-8H2,1H3.
What are the key properties of N-[[2-(5-bromo-2-pyridinyl)oxolan-3-yl]methyl]-2-methoxyethanamine?
N-[[2-(5-bromo-2-pyridinyl)oxolan-3-yl]methyl]-2-methoxyethanamine has a molecular weight of 315.21 g/mol, XLogP of 2.16, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(5-bromo-2-pyridinyl)oxolan-3-yl]methyl]-2-methoxyethanamine is sourced from PubChem (CID 113394148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).