N-[[6-(5-bromo-2-methylphenoxy)-3-pyridinyl]methyl]propan-1-amine

C16H19BrN2O — CID 107285112

IUPACN-[[6-(5-bromo-2-methylphenoxy)-3-pyridinyl]methyl]propan-1-amine
SMILESCCCNCc1ccc(Oc2cc(Br)ccc2C)nc1
InChIInChI=1S/C16H19BrN2O/c1-3-8-18-10-13-5-7-16(19-11-13)20-15-9-14(17)6-4-12(15)2/h4-7,9,11,18H,3,8,10H2,1-2H3
InChIKeyWTZZRWHGCMNYAN-UHFFFAOYSA-N
MW335.25 g/mol
LogP4.44
Rot. Bonds6

About N-[[6-(5-bromo-2-methylphenoxy)-3-pyridinyl]methyl]propan-1-amine

N-[[6-(5-bromo-2-methylphenoxy)-3-pyridinyl]methyl]propan-1-amine (PubChem CID 107285112) has the molecular formula C16H19BrN2O and a molecular weight of 335.25 g/mol. Its IUPAC name is N-[[6-(5-bromo-2-methylphenoxy)-3-pyridinyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[6-(5-bromo-2-methylphenoxy)-3-pyridinyl]methyl]propan-1-amine
PubChem CID107285112
Molecular FormulaC16H19BrN2O
Molecular Weight335.25 g/mol
Exact Mass334.07
IUPAC NameN-[[6-(5-bromo-2-methylphenoxy)-3-pyridinyl]methyl]propan-1-amine
SMILESCCCNCc1ccc(Oc2cc(Br)ccc2C)nc1
InChIInChI=1S/C16H19BrN2O/c1-3-8-18-10-13-5-7-16(19-11-13)20-15-9-14(17)6-4-12(15)2/h4-7,9,11,18H,3,8,10H2,1-2H3
InChIKeyWTZZRWHGCMNYAN-UHFFFAOYSA-N
XLogP4.44
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.25
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[[6-(5-bromo-2-methylphenoxy)-3-pyridinyl]methyl]propan-1-amine with MolForge

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Related Compounds

N-[[6-(5-bromo-2-methylphenoxy)-3-pyridinyl]methyl]cyclopropanamine
CID 107285151
N-[[6-(2-fluoro-5-methylphenoxy)-3-pyridinyl]methyl]propan-1-amine
CID 64853314
N-[[4-(5-bromo-2-methylphenoxy)-3-fluorophenyl]methyl]propan-1-amine
CID 107285167
N-[[6-(4-bromo-2-methylphenoxy)-3-pyridinyl]methyl]-2-methylpropan-1-amine
CID 63216591
N-[[6-(2,4-difluorophenoxy)-3-pyridinyl]methyl]propan-1-amine
CID 62297251
N-[[6-(2,5-difluorophenoxy)-3-pyridinyl]methyl]propan-1-amine
CID 63273316
N-[[3-(4-bromophenoxy)-4-methylphenyl]methyl]propan-1-amine
CID 105406672
N-[[6-(4-bromo-2-methylphenoxy)-3-pyridinyl]methyl]-2-methylpropan-2-amine
CID 63216590
6-(5-bromo-2-methylphenoxy)pyridin-3-amine
CID 107283348
N-[[6-(4-propylphenoxy)-3-pyridinyl]methyl]propan-1-amine
CID 62548588
N-[[6-(2,4-dibromophenoxy)-3-pyridinyl]methyl]-2-methylpropan-1-amine
CID 64721563
N-[[2-(5-bromo-2-methylphenoxy)phenyl]methyl]propan-1-amine
CID 107285188

Frequently Asked Questions

What is the IUPAC name of N-[[6-(5-bromo-2-methylphenoxy)-3-pyridinyl]methyl]propan-1-amine?
The IUPAC name of N-[[6-(5-bromo-2-methylphenoxy)-3-pyridinyl]methyl]propan-1-amine (CID 107285112) is N-[[6-(5-bromo-2-methylphenoxy)-3-pyridinyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[6-(5-bromo-2-methylphenoxy)-3-pyridinyl]methyl]propan-1-amine?
The canonical SMILES for N-[[6-(5-bromo-2-methylphenoxy)-3-pyridinyl]methyl]propan-1-amine is CCCNCc1ccc(Oc2cc(Br)ccc2C)nc1.
What is the InChIKey of N-[[6-(5-bromo-2-methylphenoxy)-3-pyridinyl]methyl]propan-1-amine?
The InChIKey is WTZZRWHGCMNYAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN2O/c1-3-8-18-10-13-5-7-16(19-11-13)20-15-9-14(17)6-4-12(15)2/h4-7,9,11,18H,3,8,10H2,1-2H3.
What are the key properties of N-[[6-(5-bromo-2-methylphenoxy)-3-pyridinyl]methyl]propan-1-amine?
N-[[6-(5-bromo-2-methylphenoxy)-3-pyridinyl]methyl]propan-1-amine has a molecular weight of 335.25 g/mol, XLogP of 4.44, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(5-bromo-2-methylphenoxy)-3-pyridinyl]methyl]propan-1-amine is sourced from PubChem (CID 107285112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).