2-(4-bromophenoxy)-N-[(3-methyl-2-pyridinyl)methyl]ethanamine

C15H17BrN2O — CID 63305980

IUPAC2-(4-bromophenoxy)-N-[(3-methyl-2-pyridinyl)methyl]ethanamine
SMILESCc1cccnc1CNCCOc1ccc(Br)cc1
InChIInChI=1S/C15H17BrN2O/c1-12-3-2-8-18-15(12)11-17-9-10-19-14-6-4-13(16)5-7-14/h2-8,17H,9-11H2,1H3
InChIKeyHUWODIZUBNQXAS-UHFFFAOYSA-N
MW321.22 g/mol
LogP3.32
Rot. Bonds6

About 2-(4-bromophenoxy)-N-[(3-methyl-2-pyridinyl)methyl]ethanamine

2-(4-bromophenoxy)-N-[(3-methyl-2-pyridinyl)methyl]ethanamine (PubChem CID 63305980) has the molecular formula C15H17BrN2O and a molecular weight of 321.22 g/mol. Its IUPAC name is 2-(4-bromophenoxy)-N-[(3-methyl-2-pyridinyl)methyl]ethanamine.

Molecular Properties

Compound Name2-(4-bromophenoxy)-N-[(3-methyl-2-pyridinyl)methyl]ethanamine
PubChem CID63305980
Molecular FormulaC15H17BrN2O
Molecular Weight321.22 g/mol
Exact Mass320.05
IUPAC Name2-(4-bromophenoxy)-N-[(3-methyl-2-pyridinyl)methyl]ethanamine
SMILESCc1cccnc1CNCCOc1ccc(Br)cc1
InChIInChI=1S/C15H17BrN2O/c1-12-3-2-8-18-15(12)11-17-9-10-19-14-6-4-13(16)5-7-14/h2-8,17H,9-11H2,1H3
InChIKeyHUWODIZUBNQXAS-UHFFFAOYSA-N
XLogP3.32
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 ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-N-[(3-methyl-2-pyridinyl)methyl]pentan-1-amine
CID 107320423
2,4,6-tribromo-N-[(3-methyl-2-pyridinyl)methyl]aniline
CID 112650051
2-(4-bromophenoxy)-N-[(1,3-dimethylpyrazol-4-yl)methyl]ethanamine
CID 112705308
2-[2-[(3-methyl-2-pyridinyl)methylamino]ethoxy]acetamide
CID 106238176
N-[(3-methyl-2-pyridinyl)methyl]-2-methylsulfanylethanamine
CID 112650180
N-[(3-methyl-2-pyridinyl)methyl]-3-methylsulfonylpropan-1-amine
CID 63305984
2-[(3-methyl-2-pyridinyl)methylamino]ethanesulfonamide
CID 114385023
2-(4-bromophenoxy)-N-[(4-methoxyphenyl)methyl]ethanamine
CID 60685867
2-(4-bromophenoxy)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]ethanamine
CID 78943613
2-(4-bromophenoxy)-N-[(2-methoxyphenyl)methyl]ethanamine
CID 60690018
N-[2-(4-bromophenoxy)ethyl]-1-(2-methylphenyl)ethanamine
CID 63490336
N-[2-(4-bromophenoxy)ethyl]-2-(2-methylphenyl)acetamide
CID 113099729

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenoxy)-N-[(3-methyl-2-pyridinyl)methyl]ethanamine?
The IUPAC name of 2-(4-bromophenoxy)-N-[(3-methyl-2-pyridinyl)methyl]ethanamine (CID 63305980) is 2-(4-bromophenoxy)-N-[(3-methyl-2-pyridinyl)methyl]ethanamine.
What is the SMILES notation for 2-(4-bromophenoxy)-N-[(3-methyl-2-pyridinyl)methyl]ethanamine?
The canonical SMILES for 2-(4-bromophenoxy)-N-[(3-methyl-2-pyridinyl)methyl]ethanamine is Cc1cccnc1CNCCOc1ccc(Br)cc1.
What is the InChIKey of 2-(4-bromophenoxy)-N-[(3-methyl-2-pyridinyl)methyl]ethanamine?
The InChIKey is HUWODIZUBNQXAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2O/c1-12-3-2-8-18-15(12)11-17-9-10-19-14-6-4-13(16)5-7-14/h2-8,17H,9-11H2,1H3.
What are the key properties of 2-(4-bromophenoxy)-N-[(3-methyl-2-pyridinyl)methyl]ethanamine?
2-(4-bromophenoxy)-N-[(3-methyl-2-pyridinyl)methyl]ethanamine has a molecular weight of 321.22 g/mol, XLogP of 3.32, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenoxy)-N-[(3-methyl-2-pyridinyl)methyl]ethanamine is sourced from PubChem (CID 63305980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).