1-[5-bromo-2-(2-pyridin-2-ylethoxy)phenyl]-N-methylmethanamine

C15H17BrN2O — CID 60891835

IUPAC1-[5-bromo-2-(2-pyridin-2-ylethoxy)phenyl]-N-methylmethanamine
SMILESCNCc1cc(Br)ccc1OCCc1ccccn1
InChIInChI=1S/C15H17BrN2O/c1-17-11-12-10-13(16)5-6-15(12)19-9-7-14-4-2-3-8-18-14/h2-6,8,10,17H,7,9,11H2,1H3
InChIKeyMVFISESDMXHQEA-UHFFFAOYSA-N
MW321.22 g/mol
LogP3.18
Rot. Bonds6

About 1-[5-bromo-2-(2-pyridin-2-ylethoxy)phenyl]-N-methylmethanamine

1-[5-bromo-2-(2-pyridin-2-ylethoxy)phenyl]-N-methylmethanamine (PubChem CID 60891835) has the molecular formula C15H17BrN2O and a molecular weight of 321.22 g/mol. Its IUPAC name is 1-[5-bromo-2-(2-pyridin-2-ylethoxy)phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[5-bromo-2-(2-pyridin-2-ylethoxy)phenyl]-N-methylmethanamine
PubChem CID60891835
Molecular FormulaC15H17BrN2O
Molecular Weight321.22 g/mol
Exact Mass320.05
IUPAC Name1-[5-bromo-2-(2-pyridin-2-ylethoxy)phenyl]-N-methylmethanamine
SMILESCNCc1cc(Br)ccc1OCCc1ccccn1
InChIInChI=1S/C15H17BrN2O/c1-17-11-12-10-13(16)5-6-15(12)19-9-7-14-4-2-3-8-18-14/h2-6,8,10,17H,7,9,11H2,1H3
InChIKeyMVFISESDMXHQEA-UHFFFAOYSA-N
XLogP3.18
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.22
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-[2-[2-(2-pyridin-2-ylethoxy)ethoxy]phenyl]methanamine
CID 62455565
1-[5-bromo-2-(3-fluoropropoxy)phenyl]-N-methylmethanamine
CID 81105522
1-[5-bromo-2-(2-pyridin-2-ylethoxy)phenyl]ethanol
CID 62378651
N-[[5-bromo-2-(pyridin-2-ylmethoxy)phenyl]methyl]-2-methoxyethanamine
CID 60712933
N-methyl-1-[6-methyl-3-(2-pyridin-2-ylethoxy)-2-pyridinyl]methanamine
CID 79151107
N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]-2-pyridin-2-ylethanamine
CID 43220642
2-(5-bromo-2-methylphenoxy)-N-(pyridin-2-ylmethyl)ethanamine
CID 107286479
3-[[4-bromo-2-(methylaminomethyl)phenoxy]methyl]pyridine-2-carbonitrile
CID 62888583
3-[4-bromo-2-(methylaminomethyl)phenoxy]-N-methylpropanamide
CID 62325278
N-[[5-bromo-2-(2-pyridin-2-ylethoxy)-3-pyridinyl]methyl]propan-2-amine
CID 62290065
1-[5-bromo-2-(2-tert-butylsulfonylethoxy)phenyl]-N-methylmethanamine
CID 106721991
2-methoxy-N-[[2-(2-pyridin-2-ylethoxy)phenyl]methyl]ethanamine
CID 63058176

Frequently Asked Questions

What is the IUPAC name of 1-[5-bromo-2-(2-pyridin-2-ylethoxy)phenyl]-N-methylmethanamine?
The IUPAC name of 1-[5-bromo-2-(2-pyridin-2-ylethoxy)phenyl]-N-methylmethanamine (CID 60891835) is 1-[5-bromo-2-(2-pyridin-2-ylethoxy)phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[5-bromo-2-(2-pyridin-2-ylethoxy)phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[5-bromo-2-(2-pyridin-2-ylethoxy)phenyl]-N-methylmethanamine is CNCc1cc(Br)ccc1OCCc1ccccn1.
What is the InChIKey of 1-[5-bromo-2-(2-pyridin-2-ylethoxy)phenyl]-N-methylmethanamine?
The InChIKey is MVFISESDMXHQEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2O/c1-17-11-12-10-13(16)5-6-15(12)19-9-7-14-4-2-3-8-18-14/h2-6,8,10,17H,7,9,11H2,1H3.
What are the key properties of 1-[5-bromo-2-(2-pyridin-2-ylethoxy)phenyl]-N-methylmethanamine?
1-[5-bromo-2-(2-pyridin-2-ylethoxy)phenyl]-N-methylmethanamine has a molecular weight of 321.22 g/mol, XLogP of 3.18, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-bromo-2-(2-pyridin-2-ylethoxy)phenyl]-N-methylmethanamine is sourced from PubChem (CID 60891835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).