N-[[6-(2,5-dimethylphenoxy)-2-pyridinyl]methyl]propan-1-amine

C17H22N2O — CID 62296086

IUPACN-[[6-(2,5-dimethylphenoxy)-2-pyridinyl]methyl]propan-1-amine
SMILESCCCNCc1cccc(Oc2cc(C)ccc2C)n1
InChIInChI=1S/C17H22N2O/c1-4-10-18-12-15-6-5-7-17(19-15)20-16-11-13(2)8-9-14(16)3/h5-9,11,18H,4,10,12H2,1-3H3
InChIKeyNMARADKKQDUBJJ-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.99
Rot. Bonds6

About N-[[6-(2,5-dimethylphenoxy)-2-pyridinyl]methyl]propan-1-amine

N-[[6-(2,5-dimethylphenoxy)-2-pyridinyl]methyl]propan-1-amine (PubChem CID 62296086) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is N-[[6-(2,5-dimethylphenoxy)-2-pyridinyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[6-(2,5-dimethylphenoxy)-2-pyridinyl]methyl]propan-1-amine
PubChem CID62296086
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC NameN-[[6-(2,5-dimethylphenoxy)-2-pyridinyl]methyl]propan-1-amine
SMILESCCCNCc1cccc(Oc2cc(C)ccc2C)n1
InChIInChI=1S/C17H22N2O/c1-4-10-18-12-15-6-5-7-17(19-15)20-16-11-13(2)8-9-14(16)3/h5-9,11,18H,4,10,12H2,1-3H3
InChIKeyNMARADKKQDUBJJ-UHFFFAOYSA-N
XLogP3.99
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.99
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-[[6-(2,3,6-trimethylphenoxy)-2-pyridinyl]methyl]propan-1-amine
CID 62322224
N-[[6-(propylaminomethyl)-2-pyridinyl]methyl]propan-1-amine
CID 11501840
N-[[6-(4-ethylphenoxy)-2-pyridinyl]methyl]propan-1-amine
CID 62298336
2-(2,5-dimethylphenoxy)-6-fluoropyridine
CID 61227420
N-[[2-(2,5-dimethylphenoxy)-3-pyridinyl]methyl]propan-1-amine
CID 62296784
N,N-dimethyl-3-[[6-(propylaminomethyl)-2-pyridinyl]oxy]propan-1-amine
CID 62298223
N-[[6-[(5-fluoro-2-methylphenoxy)methyl]-2-pyridinyl]methyl]propan-1-amine
CID 106908714
N-[[6-(3-bromo-5-fluorophenoxy)-2-pyridinyl]methyl]propan-1-amine
CID 81326466
N-[[6-(2,4-dimethylphenoxy)-2-pyridinyl]methyl]cyclopropanamine
CID 62298316
N-[[3-chloro-6-(2,5-dimethylphenoxy)-2-pyridinyl]methyl]ethanamine
CID 62297317
N-[[6-[(2,3-dimethylphenoxy)methyl]-2-pyridinyl]methyl]propan-1-amine
CID 106907958
N-[[6-[(5-methyl-1H-pyrazol-3-yl)oxymethyl]-2-pyridinyl]methyl]propan-1-amine
CID 106908531

Frequently Asked Questions

What is the IUPAC name of N-[[6-(2,5-dimethylphenoxy)-2-pyridinyl]methyl]propan-1-amine?
The IUPAC name of N-[[6-(2,5-dimethylphenoxy)-2-pyridinyl]methyl]propan-1-amine (CID 62296086) is N-[[6-(2,5-dimethylphenoxy)-2-pyridinyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[6-(2,5-dimethylphenoxy)-2-pyridinyl]methyl]propan-1-amine?
The canonical SMILES for N-[[6-(2,5-dimethylphenoxy)-2-pyridinyl]methyl]propan-1-amine is CCCNCc1cccc(Oc2cc(C)ccc2C)n1.
What is the InChIKey of N-[[6-(2,5-dimethylphenoxy)-2-pyridinyl]methyl]propan-1-amine?
The InChIKey is NMARADKKQDUBJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-4-10-18-12-15-6-5-7-17(19-15)20-16-11-13(2)8-9-14(16)3/h5-9,11,18H,4,10,12H2,1-3H3.
What are the key properties of N-[[6-(2,5-dimethylphenoxy)-2-pyridinyl]methyl]propan-1-amine?
N-[[6-(2,5-dimethylphenoxy)-2-pyridinyl]methyl]propan-1-amine has a molecular weight of 270.38 g/mol, XLogP of 3.99, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(2,5-dimethylphenoxy)-2-pyridinyl]methyl]propan-1-amine is sourced from PubChem (CID 62296086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).