(1R)-1-[5-bromo-2-[(3-methyl-2-pyridinyl)methoxy]phenyl]ethanamine

C15H17BrN2O — CID 103954533

IUPAC(1R)-1-[5-bromo-2-[(3-methyl-2-pyridinyl)methoxy]phenyl]ethanamine
SMILESCc1cccnc1COc1ccc(Br)cc1[C@@H](C)N
InChIInChI=1S/C15H17BrN2O/c1-10-4-3-7-18-14(10)9-19-15-6-5-12(16)8-13(15)11(2)17/h3-8,11H,9,17H2,1-2H3/t11-/m1/s1
InChIKeyMBHKRKCHMGCFQH-LLVKDONJSA-N
MW321.22 g/mol
LogP3.75
Rot. Bonds4

About (1R)-1-[5-bromo-2-[(3-methyl-2-pyridinyl)methoxy]phenyl]ethanamine

(1R)-1-[5-bromo-2-[(3-methyl-2-pyridinyl)methoxy]phenyl]ethanamine (PubChem CID 103954533) has the molecular formula C15H17BrN2O and a molecular weight of 321.22 g/mol. Its IUPAC name is (1R)-1-[5-bromo-2-[(3-methyl-2-pyridinyl)methoxy]phenyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-[5-bromo-2-[(3-methyl-2-pyridinyl)methoxy]phenyl]ethanamine
PubChem CID103954533
Molecular FormulaC15H17BrN2O
Molecular Weight321.22 g/mol
Exact Mass320.05
IUPAC Name(1R)-1-[5-bromo-2-[(3-methyl-2-pyridinyl)methoxy]phenyl]ethanamine
SMILESCc1cccnc1COc1ccc(Br)cc1[C@@H](C)N
InChIInChI=1S/C15H17BrN2O/c1-10-4-3-7-18-14(10)9-19-15-6-5-12(16)8-13(15)11(2)17/h3-8,11H,9,17H2,1-2H3/t11-/m1/s1
InChIKeyMBHKRKCHMGCFQH-LLVKDONJSA-N
XLogP3.75
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.22
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (1R)-1-[5-bromo-2-[(3-methyl-2-pyridinyl)methoxy]phenyl]ethanamine with MolForge

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Related Compounds

1-[5-bromo-2-[(3-methyl-2-pyridinyl)methoxy]phenyl]ethanol
CID 112650650
1-[5-methyl-2-[(3-methyl-2-pyridinyl)methoxy]phenyl]ethanamine
CID 112649868
(1S)-1-[5-bromo-2-(pyridin-2-ylmethoxy)phenyl]ethanamine
CID 78937400
2-[5-bromo-2-[(3-methyl-2-pyridinyl)methoxy]phenyl]ethanamine
CID 112651125
2-[(5-bromo-2-chlorophenoxy)methyl]-3-methylpyridine
CID 112549915
(1S)-1-(5-bromo-2-phenylmethoxyphenyl)ethanamine
CID 78937030
3-methyl-2-[(2-propan-2-ylphenoxy)methyl]pyridine
CID 112651495
(1R)-1-[5-bromo-2-[(6-methyl-2-pyridinyl)methoxy]phenyl]ethanamine
CID 79268203
1-[5-bromo-2-[(3,5-dimethylphenyl)methoxy]phenyl]ethanamine
CID 63499604
1-[5-bromo-2-(methoxymethoxy)phenyl]ethanamine
CID 65365311
1-[5-bromo-2-[(1-ethylimidazol-2-yl)methoxy]phenyl]ethanamine
CID 55109188
4-[[2-[(1S)-1-aminoethyl]-4-bromophenoxy]methyl]pyridine-2-carbonitrile
CID 78953406

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[5-bromo-2-[(3-methyl-2-pyridinyl)methoxy]phenyl]ethanamine?
The IUPAC name of (1R)-1-[5-bromo-2-[(3-methyl-2-pyridinyl)methoxy]phenyl]ethanamine (CID 103954533) is (1R)-1-[5-bromo-2-[(3-methyl-2-pyridinyl)methoxy]phenyl]ethanamine.
What is the SMILES notation for (1R)-1-[5-bromo-2-[(3-methyl-2-pyridinyl)methoxy]phenyl]ethanamine?
The canonical SMILES for (1R)-1-[5-bromo-2-[(3-methyl-2-pyridinyl)methoxy]phenyl]ethanamine is Cc1cccnc1COc1ccc(Br)cc1[C@@H](C)N.
What is the InChIKey of (1R)-1-[5-bromo-2-[(3-methyl-2-pyridinyl)methoxy]phenyl]ethanamine?
The InChIKey is MBHKRKCHMGCFQH-LLVKDONJSA-N. The full InChI is InChI=1S/C15H17BrN2O/c1-10-4-3-7-18-14(10)9-19-15-6-5-12(16)8-13(15)11(2)17/h3-8,11H,9,17H2,1-2H3/t11-/m1/s1.
What are the key properties of (1R)-1-[5-bromo-2-[(3-methyl-2-pyridinyl)methoxy]phenyl]ethanamine?
(1R)-1-[5-bromo-2-[(3-methyl-2-pyridinyl)methoxy]phenyl]ethanamine has a molecular weight of 321.22 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[5-bromo-2-[(3-methyl-2-pyridinyl)methoxy]phenyl]ethanamine is sourced from PubChem (CID 103954533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).