N-[[3-(3,4-dimethylphenoxy)-4-pyridinyl]methyl]propan-1-amine

C17H22N2O — CID 105075308

IUPACN-[[3-(3,4-dimethylphenoxy)-4-pyridinyl]methyl]propan-1-amine
SMILESCCCNCc1ccncc1Oc1ccc(C)c(C)c1
InChIInChI=1S/C17H22N2O/c1-4-8-18-11-15-7-9-19-12-17(15)20-16-6-5-13(2)14(3)10-16/h5-7,9-10,12,18H,4,8,11H2,1-3H3
InChIKeyLGQOXVFEBZJEJL-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.99
Rot. Bonds6

About N-[[3-(3,4-dimethylphenoxy)-4-pyridinyl]methyl]propan-1-amine

N-[[3-(3,4-dimethylphenoxy)-4-pyridinyl]methyl]propan-1-amine (PubChem CID 105075308) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is N-[[3-(3,4-dimethylphenoxy)-4-pyridinyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[3-(3,4-dimethylphenoxy)-4-pyridinyl]methyl]propan-1-amine
PubChem CID105075308
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC NameN-[[3-(3,4-dimethylphenoxy)-4-pyridinyl]methyl]propan-1-amine
SMILESCCCNCc1ccncc1Oc1ccc(C)c(C)c1
InChIInChI=1S/C17H22N2O/c1-4-8-18-11-15-7-9-19-12-17(15)20-16-6-5-13(2)14(3)10-16/h5-7,9-10,12,18H,4,8,11H2,1-3H3
InChIKeyLGQOXVFEBZJEJL-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-[[4-(3,4-dimethylphenoxy)-3-pyridinyl]methyl]propan-1-amine
CID 81251065
N-[[3-(2,3-dihydro-1H-inden-5-yloxy)-4-pyridinyl]methyl]propan-1-amine
CID 105075463
N-[[3-(4-fluoro-3-methylphenoxy)-4-pyridinyl]methyl]ethanamine
CID 105075869
[3-(3,4-dimethylphenoxy)-4-pyridinyl]methanamine
CID 59112975
N-[[4-(3,4-dimethylphenoxy)-6-methyl-3-pyridinyl]methyl]propan-1-amine
CID 81254541
N-[[3-(4-bromo-2-methylphenoxy)-4-pyridinyl]methyl]propan-1-amine
CID 105075633
N'-[(3-methoxy-4-pyridinyl)methyl]-N-propylethane-1,2-diamine
CID 105063370
N-[[3-(2,4,5-trichlorophenoxy)-4-pyridinyl]methyl]propan-1-amine
CID 105075176
N-[[3-(3-fluoro-4-methylphenoxy)-4-pyridinyl]methyl]-2-methylpropan-1-amine
CID 107170646
N-[[3-(2-ethoxyphenoxy)-4-pyridinyl]methyl]propan-1-amine
CID 105075242
N-[[3-(4-propoxyphenoxy)-4-pyridinyl]methyl]ethanamine
CID 105075483
N-[[4-(3-chlorophenoxy)-3-pyridinyl]methyl]propan-1-amine
CID 81251291

Frequently Asked Questions

What is the IUPAC name of N-[[3-(3,4-dimethylphenoxy)-4-pyridinyl]methyl]propan-1-amine?
The IUPAC name of N-[[3-(3,4-dimethylphenoxy)-4-pyridinyl]methyl]propan-1-amine (CID 105075308) is N-[[3-(3,4-dimethylphenoxy)-4-pyridinyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[3-(3,4-dimethylphenoxy)-4-pyridinyl]methyl]propan-1-amine?
The canonical SMILES for N-[[3-(3,4-dimethylphenoxy)-4-pyridinyl]methyl]propan-1-amine is CCCNCc1ccncc1Oc1ccc(C)c(C)c1.
What is the InChIKey of N-[[3-(3,4-dimethylphenoxy)-4-pyridinyl]methyl]propan-1-amine?
The InChIKey is LGQOXVFEBZJEJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-4-8-18-11-15-7-9-19-12-17(15)20-16-6-5-13(2)14(3)10-16/h5-7,9-10,12,18H,4,8,11H2,1-3H3.
What are the key properties of N-[[3-(3,4-dimethylphenoxy)-4-pyridinyl]methyl]propan-1-amine?
N-[[3-(3,4-dimethylphenoxy)-4-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-[[3-(3,4-dimethylphenoxy)-4-pyridinyl]methyl]propan-1-amine is sourced from PubChem (CID 105075308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).