2-[5-bromo-2-[(3-methyl-2-pyridinyl)methoxy]phenyl]ethanamine

C15H17BrN2O — CID 112651125

IUPAC2-[5-bromo-2-[(3-methyl-2-pyridinyl)methoxy]phenyl]ethanamine
SMILESCc1cccnc1COc1ccc(Br)cc1CCN
InChIInChI=1S/C15H17BrN2O/c1-11-3-2-8-18-14(11)10-19-15-5-4-13(16)9-12(15)6-7-17/h2-5,8-9H,6-7,10,17H2,1H3
InChIKeyNVKDBJDSSMFNEM-UHFFFAOYSA-N
MW321.22 g/mol
LogP3.23
Rot. Bonds5

About 2-[5-bromo-2-[(3-methyl-2-pyridinyl)methoxy]phenyl]ethanamine

2-[5-bromo-2-[(3-methyl-2-pyridinyl)methoxy]phenyl]ethanamine (PubChem CID 112651125) has the molecular formula C15H17BrN2O and a molecular weight of 321.22 g/mol. Its IUPAC name is 2-[5-bromo-2-[(3-methyl-2-pyridinyl)methoxy]phenyl]ethanamine.

Molecular Properties

Compound Name2-[5-bromo-2-[(3-methyl-2-pyridinyl)methoxy]phenyl]ethanamine
PubChem CID112651125
Molecular FormulaC15H17BrN2O
Molecular Weight321.22 g/mol
Exact Mass320.05
IUPAC Name2-[5-bromo-2-[(3-methyl-2-pyridinyl)methoxy]phenyl]ethanamine
SMILESCc1cccnc1COc1ccc(Br)cc1CCN
InChIInChI=1S/C15H17BrN2O/c1-11-3-2-8-18-14(11)10-19-15-5-4-13(16)9-12(15)6-7-17/h2-5,8-9H,6-7,10,17H2,1H3
InChIKeyNVKDBJDSSMFNEM-UHFFFAOYSA-N
XLogP3.23
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.22
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[5-bromo-2-[(3-methyl-2-pyridinyl)methoxy]phenyl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-[(3-methyl-2-pyridinyl)methoxy]phenyl]ethanamine
CID 112651124
(1R)-1-[5-bromo-2-[(3-methyl-2-pyridinyl)methoxy]phenyl]ethanamine
CID 103954533
2-[(5-bromo-2-chlorophenoxy)methyl]-3-methylpyridine
CID 112549915
1-[5-bromo-2-[(3-methyl-2-pyridinyl)methoxy]phenyl]ethanol
CID 112650650
2-[5-bromo-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]ethanamine
CID 54931327
2-[2-(5-bromo-2-methylphenoxy)-3-pyridinyl]ethanamine
CID 114057591
5-bromo-4-fluoro-2-[(3-methyl-2-pyridinyl)methoxy]aniline
CID 103483032
2-(5-bromo-2-prop-2-enoxyphenyl)ethanamine
CID 60905064
2-(5-bromo-2-propan-2-yloxyphenyl)ethanamine
CID 60905780
2-[2-[(3-bromophenyl)methoxy]-5-methylphenyl]ethanamine
CID 63325848
2-[5-bromo-2-[(2,3-dichlorophenyl)methoxy]phenyl]ethanamine
CID 107309269
3-bromo-4-[(3-methyl-2-pyridinyl)methoxy]benzaldehyde
CID 112549798

Frequently Asked Questions

What is the IUPAC name of 2-[5-bromo-2-[(3-methyl-2-pyridinyl)methoxy]phenyl]ethanamine?
The IUPAC name of 2-[5-bromo-2-[(3-methyl-2-pyridinyl)methoxy]phenyl]ethanamine (CID 112651125) is 2-[5-bromo-2-[(3-methyl-2-pyridinyl)methoxy]phenyl]ethanamine.
What is the SMILES notation for 2-[5-bromo-2-[(3-methyl-2-pyridinyl)methoxy]phenyl]ethanamine?
The canonical SMILES for 2-[5-bromo-2-[(3-methyl-2-pyridinyl)methoxy]phenyl]ethanamine is Cc1cccnc1COc1ccc(Br)cc1CCN.
What is the InChIKey of 2-[5-bromo-2-[(3-methyl-2-pyridinyl)methoxy]phenyl]ethanamine?
The InChIKey is NVKDBJDSSMFNEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2O/c1-11-3-2-8-18-14(11)10-19-15-5-4-13(16)9-12(15)6-7-17/h2-5,8-9H,6-7,10,17H2,1H3.
What are the key properties of 2-[5-bromo-2-[(3-methyl-2-pyridinyl)methoxy]phenyl]ethanamine?
2-[5-bromo-2-[(3-methyl-2-pyridinyl)methoxy]phenyl]ethanamine has a molecular weight of 321.22 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-bromo-2-[(3-methyl-2-pyridinyl)methoxy]phenyl]ethanamine is sourced from PubChem (CID 112651125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).