N-[[5-bromo-2-(oxolan-2-ylmethoxy)-3-pyridinyl]methyl]ethanamine

C13H19BrN2O2 — CID 62292146

IUPACN-[[5-bromo-2-(oxolan-2-ylmethoxy)-3-pyridinyl]methyl]ethanamine
SMILESCCNCc1cc(Br)cnc1OCC1CCCO1
InChIInChI=1S/C13H19BrN2O2/c1-2-15-7-10-6-11(14)8-16-13(10)18-9-12-4-3-5-17-12/h6,8,12,15H,2-5,7,9H2,1H3
InChIKeyWMRAUDWGDPMUQS-UHFFFAOYSA-N
MW315.21 g/mol
LogP2.51
Rot. Bonds6

About N-[[5-bromo-2-(oxolan-2-ylmethoxy)-3-pyridinyl]methyl]ethanamine

N-[[5-bromo-2-(oxolan-2-ylmethoxy)-3-pyridinyl]methyl]ethanamine (PubChem CID 62292146) has the molecular formula C13H19BrN2O2 and a molecular weight of 315.21 g/mol. Its IUPAC name is N-[[5-bromo-2-(oxolan-2-ylmethoxy)-3-pyridinyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[5-bromo-2-(oxolan-2-ylmethoxy)-3-pyridinyl]methyl]ethanamine
PubChem CID62292146
Molecular FormulaC13H19BrN2O2
Molecular Weight315.21 g/mol
Exact Mass314.06
IUPAC NameN-[[5-bromo-2-(oxolan-2-ylmethoxy)-3-pyridinyl]methyl]ethanamine
SMILESCCNCc1cc(Br)cnc1OCC1CCCO1
InChIInChI=1S/C13H19BrN2O2/c1-2-15-7-10-6-11(14)8-16-13(10)18-9-12-4-3-5-17-12/h6,8,12,15H,2-5,7,9H2,1H3
InChIKeyWMRAUDWGDPMUQS-UHFFFAOYSA-N
XLogP2.51
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 ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[5-bromo-2-(oxolan-2-ylmethoxy)-3-pyridinyl]methyl]ethanamine with MolForge

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Related Compounds

5-bromo-N-ethyl-3-(ethylaminomethyl)-N-(oxolan-2-ylmethyl)pyridin-2-amine
CID 62282729
5-bromo-2-(oxolan-2-ylmethoxy)pyridin-3-amine
CID 61228294
N-[[5-bromo-2-(2-cyclopropylethoxy)-3-pyridinyl]methyl]ethanamine
CID 106205348
N-[[5-bromo-2-(oxolan-3-yloxy)-3-pyridinyl]methyl]ethanamine
CID 63557699
1-[5-bromo-2-(cyclopropylmethoxy)-3-pyridinyl]-N-methylmethanamine
CID 62291519
N-[[5-bromo-2-[3-(oxolan-2-yl)propoxy]phenyl]methyl]ethanamine
CID 65158825
N-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]ethanamine
CID 43214097
3-bromo-5-chloro-2-(oxolan-2-ylmethoxy)pyridine
CID 114837569
N-[[3-bromo-5-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methyl]ethanamine
CID 43622329
N-[[5-bromo-2-(4-bromo-3-methylphenoxy)-3-pyridinyl]methyl]ethanamine
CID 83134584
N-[[3-bromo-4-(oxan-2-ylmethoxy)phenyl]methyl]ethanamine
CID 55147134
N-[[5-bromo-2-[(2-bromophenyl)methoxy]-3-pyridinyl]methyl]ethanamine
CID 82831389

Frequently Asked Questions

What is the IUPAC name of N-[[5-bromo-2-(oxolan-2-ylmethoxy)-3-pyridinyl]methyl]ethanamine?
The IUPAC name of N-[[5-bromo-2-(oxolan-2-ylmethoxy)-3-pyridinyl]methyl]ethanamine (CID 62292146) is N-[[5-bromo-2-(oxolan-2-ylmethoxy)-3-pyridinyl]methyl]ethanamine.
What is the SMILES notation for N-[[5-bromo-2-(oxolan-2-ylmethoxy)-3-pyridinyl]methyl]ethanamine?
The canonical SMILES for N-[[5-bromo-2-(oxolan-2-ylmethoxy)-3-pyridinyl]methyl]ethanamine is CCNCc1cc(Br)cnc1OCC1CCCO1.
What is the InChIKey of N-[[5-bromo-2-(oxolan-2-ylmethoxy)-3-pyridinyl]methyl]ethanamine?
The InChIKey is WMRAUDWGDPMUQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O2/c1-2-15-7-10-6-11(14)8-16-13(10)18-9-12-4-3-5-17-12/h6,8,12,15H,2-5,7,9H2,1H3.
What are the key properties of N-[[5-bromo-2-(oxolan-2-ylmethoxy)-3-pyridinyl]methyl]ethanamine?
N-[[5-bromo-2-(oxolan-2-ylmethoxy)-3-pyridinyl]methyl]ethanamine has a molecular weight of 315.21 g/mol, XLogP of 2.51, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-bromo-2-(oxolan-2-ylmethoxy)-3-pyridinyl]methyl]ethanamine is sourced from PubChem (CID 62292146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).