N-[[2-[(5-bromo-2-pyridinyl)methoxy]phenyl]methyl]propan-1-amine

C16H19BrN2O — CID 104796100

IUPACN-[[2-[(5-bromo-2-pyridinyl)methoxy]phenyl]methyl]propan-1-amine
SMILESCCCNCc1ccccc1OCc1ccc(Br)cn1
InChIInChI=1S/C16H19BrN2O/c1-2-9-18-10-13-5-3-4-6-16(13)20-12-15-8-7-14(17)11-19-15/h3-8,11,18H,2,9-10,12H2,1H3
InChIKeyLXFUMSVSUDKZQS-UHFFFAOYSA-N
MW335.25 g/mol
LogP3.92
Rot. Bonds7

About N-[[2-[(5-bromo-2-pyridinyl)methoxy]phenyl]methyl]propan-1-amine

N-[[2-[(5-bromo-2-pyridinyl)methoxy]phenyl]methyl]propan-1-amine (PubChem CID 104796100) has the molecular formula C16H19BrN2O and a molecular weight of 335.25 g/mol. Its IUPAC name is N-[[2-[(5-bromo-2-pyridinyl)methoxy]phenyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[2-[(5-bromo-2-pyridinyl)methoxy]phenyl]methyl]propan-1-amine
PubChem CID104796100
Molecular FormulaC16H19BrN2O
Molecular Weight335.25 g/mol
Exact Mass334.07
IUPAC NameN-[[2-[(5-bromo-2-pyridinyl)methoxy]phenyl]methyl]propan-1-amine
SMILESCCCNCc1ccccc1OCc1ccc(Br)cn1
InChIInChI=1S/C16H19BrN2O/c1-2-9-18-10-13-5-3-4-6-16(13)20-12-15-8-7-14(17)11-19-15/h3-8,11,18H,2,9-10,12H2,1H3
InChIKeyLXFUMSVSUDKZQS-UHFFFAOYSA-N
XLogP3.92
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.25
LogP ≤ 53.92
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-[[2-[(2-ethylphenoxy)methyl]phenyl]methyl]propan-1-amine
CID 63496111
N-[[2-[(6-methoxy-2-pyridinyl)methoxy]phenyl]methyl]propan-1-amine
CID 63992362
N-[[5-bromo-2-(2-ethylphenoxy)-3-pyridinyl]methyl]propan-1-amine
CID 63489696
N-[[2-[(5-bromo-2-pyridinyl)methoxy]-5-methylphenyl]methyl]ethanamine
CID 104796321
N-[[2-[(4-fluorophenyl)methoxy]phenyl]methyl]propan-1-amine
CID 4716600
N-[[2-[(4-chlorophenyl)methoxy]phenyl]methyl]propan-1-amine
CID 4716575
N-[[2-(5-bromo-2-methylphenoxy)phenyl]methyl]propan-1-amine
CID 107285188
N-[(2-trimethylsilyloxyphenyl)methyl]propan-1-amine
CID 167723210
N-[[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methyl]propan-1-amine
CID 60881221
N-[[3-bromo-2-(pyridin-2-ylmethoxy)phenyl]methyl]propan-1-amine
CID 61390714
N-[[2-[(1-ethylimidazol-2-yl)methoxy]phenyl]methyl]propan-1-amine
CID 62736402
N-[[2-[(2-methyltetrazol-5-yl)methoxy]phenyl]methyl]propan-1-amine
CID 107041124

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(5-bromo-2-pyridinyl)methoxy]phenyl]methyl]propan-1-amine?
The IUPAC name of N-[[2-[(5-bromo-2-pyridinyl)methoxy]phenyl]methyl]propan-1-amine (CID 104796100) is N-[[2-[(5-bromo-2-pyridinyl)methoxy]phenyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[2-[(5-bromo-2-pyridinyl)methoxy]phenyl]methyl]propan-1-amine?
The canonical SMILES for N-[[2-[(5-bromo-2-pyridinyl)methoxy]phenyl]methyl]propan-1-amine is CCCNCc1ccccc1OCc1ccc(Br)cn1.
What is the InChIKey of N-[[2-[(5-bromo-2-pyridinyl)methoxy]phenyl]methyl]propan-1-amine?
The InChIKey is LXFUMSVSUDKZQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN2O/c1-2-9-18-10-13-5-3-4-6-16(13)20-12-15-8-7-14(17)11-19-15/h3-8,11,18H,2,9-10,12H2,1H3.
What are the key properties of N-[[2-[(5-bromo-2-pyridinyl)methoxy]phenyl]methyl]propan-1-amine?
N-[[2-[(5-bromo-2-pyridinyl)methoxy]phenyl]methyl]propan-1-amine has a molecular weight of 335.25 g/mol, XLogP of 3.92, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(5-bromo-2-pyridinyl)methoxy]phenyl]methyl]propan-1-amine is sourced from PubChem (CID 104796100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).