N-[[5-bromo-2-(2-ethylphenoxy)-3-pyridinyl]methyl]propan-1-amine

C17H21BrN2O — CID 63489696

IUPACN-[[5-bromo-2-(2-ethylphenoxy)-3-pyridinyl]methyl]propan-1-amine
SMILESCCCNCc1cc(Br)cnc1Oc1ccccc1CC
InChIInChI=1S/C17H21BrN2O/c1-3-9-19-11-14-10-15(18)12-20-17(14)21-16-8-6-5-7-13(16)4-2/h5-8,10,12,19H,3-4,9,11H2,1-2H3
InChIKeyOLKGDVAIOCSOPA-UHFFFAOYSA-N
MW349.27 g/mol
LogP4.70
Rot. Bonds7

About N-[[5-bromo-2-(2-ethylphenoxy)-3-pyridinyl]methyl]propan-1-amine

N-[[5-bromo-2-(2-ethylphenoxy)-3-pyridinyl]methyl]propan-1-amine (PubChem CID 63489696) has the molecular formula C17H21BrN2O and a molecular weight of 349.27 g/mol. Its IUPAC name is N-[[5-bromo-2-(2-ethylphenoxy)-3-pyridinyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[5-bromo-2-(2-ethylphenoxy)-3-pyridinyl]methyl]propan-1-amine
PubChem CID63489696
Molecular FormulaC17H21BrN2O
Molecular Weight349.27 g/mol
Exact Mass348.08
IUPAC NameN-[[5-bromo-2-(2-ethylphenoxy)-3-pyridinyl]methyl]propan-1-amine
SMILESCCCNCc1cc(Br)cnc1Oc1ccccc1CC
InChIInChI=1S/C17H21BrN2O/c1-3-9-19-11-14-10-15(18)12-20-17(14)21-16-8-6-5-7-13(16)4-2/h5-8,10,12,19H,3-4,9,11H2,1-2H3
InChIKeyOLKGDVAIOCSOPA-UHFFFAOYSA-N
XLogP4.70
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.27
LogP ≤ 54.70
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

N-[[5-bromo-2-(3-methoxyphenoxy)-3-pyridinyl]methyl]propan-1-amine
CID 62297990
N-[[2-[(5-bromo-2-pyridinyl)methoxy]phenyl]methyl]propan-1-amine
CID 104796100
N-[[5-bromo-2-(2,2-difluoroethoxy)-3-pyridinyl]methyl]propan-1-amine
CID 82005379
N-[[5-bromo-2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]propan-1-amine
CID 62291897
N-[[5-bromo-2-(2,3-dimethylphenoxy)-3-pyridinyl]methyl]ethanamine
CID 62296755
N-[[2-(2-ethylphenoxy)-5-fluorophenyl]methyl]propan-1-amine
CID 43314361
N-[[2-(5-bromo-2-methylphenoxy)phenyl]methyl]propan-1-amine
CID 107285188
N-[[2-[(2-ethylphenoxy)methyl]phenyl]methyl]propan-1-amine
CID 63496111
N-[(5-bromo-2-cycloheptyloxy-3-pyridinyl)methyl]propan-1-amine
CID 63490204
N-[[5-bromo-2-(1,1,1-trifluoropropan-2-yloxy)-3-pyridinyl]methyl]propan-1-amine
CID 66276171
N-[[2-(4-bromo-2-fluorophenoxy)phenyl]methyl]propan-1-amine
CID 43283630
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-(2-ethylphenoxy)-3-pyridinyl]methyl]propan-1-amine?
The IUPAC name of N-[[5-bromo-2-(2-ethylphenoxy)-3-pyridinyl]methyl]propan-1-amine (CID 63489696) is N-[[5-bromo-2-(2-ethylphenoxy)-3-pyridinyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[5-bromo-2-(2-ethylphenoxy)-3-pyridinyl]methyl]propan-1-amine?
The canonical SMILES for N-[[5-bromo-2-(2-ethylphenoxy)-3-pyridinyl]methyl]propan-1-amine is CCCNCc1cc(Br)cnc1Oc1ccccc1CC.
What is the InChIKey of N-[[5-bromo-2-(2-ethylphenoxy)-3-pyridinyl]methyl]propan-1-amine?
The InChIKey is OLKGDVAIOCSOPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21BrN2O/c1-3-9-19-11-14-10-15(18)12-20-17(14)21-16-8-6-5-7-13(16)4-2/h5-8,10,12,19H,3-4,9,11H2,1-2H3.
What are the key properties of N-[[5-bromo-2-(2-ethylphenoxy)-3-pyridinyl]methyl]propan-1-amine?
N-[[5-bromo-2-(2-ethylphenoxy)-3-pyridinyl]methyl]propan-1-amine has a molecular weight of 349.27 g/mol, XLogP of 4.70, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-bromo-2-(2-ethylphenoxy)-3-pyridinyl]methyl]propan-1-amine is sourced from PubChem (CID 63489696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).