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

C16H19BrN2O2 — CID 62297990

IUPACN-[[5-bromo-2-(3-methoxyphenoxy)-3-pyridinyl]methyl]propan-1-amine
SMILESCCCNCc1cc(Br)cnc1Oc1cccc(OC)c1
InChIInChI=1S/C16H19BrN2O2/c1-3-7-18-10-12-8-13(17)11-19-16(12)21-15-6-4-5-14(9-15)20-2/h4-6,8-9,11,18H,3,7,10H2,1-2H3
InChIKeyLRRCHIAEANSQOK-UHFFFAOYSA-N
MW351.24 g/mol
LogP4.14
Rot. Bonds7

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

N-[[5-bromo-2-(3-methoxyphenoxy)-3-pyridinyl]methyl]propan-1-amine (PubChem CID 62297990) has the molecular formula C16H19BrN2O2 and a molecular weight of 351.24 g/mol. Its IUPAC name is N-[[5-bromo-2-(3-methoxyphenoxy)-3-pyridinyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[5-bromo-2-(3-methoxyphenoxy)-3-pyridinyl]methyl]propan-1-amine
PubChem CID62297990
Molecular FormulaC16H19BrN2O2
Molecular Weight351.24 g/mol
Exact Mass350.06
IUPAC NameN-[[5-bromo-2-(3-methoxyphenoxy)-3-pyridinyl]methyl]propan-1-amine
SMILESCCCNCc1cc(Br)cnc1Oc1cccc(OC)c1
InChIInChI=1S/C16H19BrN2O2/c1-3-7-18-10-12-8-13(17)11-19-16(12)21-15-6-4-5-14(9-15)20-2/h4-6,8-9,11,18H,3,7,10H2,1-2H3
InChIKeyLRRCHIAEANSQOK-UHFFFAOYSA-N
XLogP4.14
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.24
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-2-amine
CID 62298160
N-[[5-bromo-2-(2-ethylphenoxy)-3-pyridinyl]methyl]propan-1-amine
CID 63489696
N-[[5-bromo-2-(3-bromophenoxy)-3-pyridinyl]methyl]-2-methylpropan-1-amine
CID 63487635
1-[5-bromo-2-(3-ethylphenoxy)-3-pyridinyl]-N-methylmethanamine
CID 62297750
N-[[5-(3-methoxyphenoxy)pyrazin-2-yl]methyl]propan-1-amine
CID 107381742
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-(4-bromo-3-methylphenoxy)-3-pyridinyl]methyl]ethanamine
CID 83134584
1-[5-bromo-2-(3-fluorophenoxy)-3-pyridinyl]-N-methylmethanamine
CID 55058269
5-bromo-3-(chloromethyl)-2-(3-ethoxyphenoxy)pyridine
CID 55060803
N-[[5-bromo-2-(1,1,1-trifluoropropan-2-yloxy)-3-pyridinyl]methyl]propan-1-amine
CID 66276171
N-[(5-bromo-2-cycloheptyloxy-3-pyridinyl)methyl]propan-1-amine
CID 63490204

Frequently Asked Questions

What is the IUPAC name of N-[[5-bromo-2-(3-methoxyphenoxy)-3-pyridinyl]methyl]propan-1-amine?
The IUPAC name of N-[[5-bromo-2-(3-methoxyphenoxy)-3-pyridinyl]methyl]propan-1-amine (CID 62297990) is N-[[5-bromo-2-(3-methoxyphenoxy)-3-pyridinyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[5-bromo-2-(3-methoxyphenoxy)-3-pyridinyl]methyl]propan-1-amine?
The canonical SMILES for N-[[5-bromo-2-(3-methoxyphenoxy)-3-pyridinyl]methyl]propan-1-amine is CCCNCc1cc(Br)cnc1Oc1cccc(OC)c1.
What is the InChIKey of N-[[5-bromo-2-(3-methoxyphenoxy)-3-pyridinyl]methyl]propan-1-amine?
The InChIKey is LRRCHIAEANSQOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN2O2/c1-3-7-18-10-12-8-13(17)11-19-16(12)21-15-6-4-5-14(9-15)20-2/h4-6,8-9,11,18H,3,7,10H2,1-2H3.
What are the key properties of N-[[5-bromo-2-(3-methoxyphenoxy)-3-pyridinyl]methyl]propan-1-amine?
N-[[5-bromo-2-(3-methoxyphenoxy)-3-pyridinyl]methyl]propan-1-amine has a molecular weight of 351.24 g/mol, XLogP of 4.14, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-bromo-2-(3-methoxyphenoxy)-3-pyridinyl]methyl]propan-1-amine is sourced from PubChem (CID 62297990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).