N-[[6-(3,5-dimethylphenoxy)-3-pyridinyl]methyl]-2-methoxyethanamine

C17H22N2O2 — CID 80636920

IUPACN-[[6-(3,5-dimethylphenoxy)-3-pyridinyl]methyl]-2-methoxyethanamine
SMILESCOCCNCc1ccc(Oc2cc(C)cc(C)c2)nc1
InChIInChI=1S/C17H22N2O2/c1-13-8-14(2)10-16(9-13)21-17-5-4-15(12-19-17)11-18-6-7-20-3/h4-5,8-10,12,18H,6-7,11H2,1-3H3
InChIKeyKXKJFDVCOHTQQC-UHFFFAOYSA-N
MW286.38 g/mol
LogP3.23
Rot. Bonds7

About N-[[6-(3,5-dimethylphenoxy)-3-pyridinyl]methyl]-2-methoxyethanamine

N-[[6-(3,5-dimethylphenoxy)-3-pyridinyl]methyl]-2-methoxyethanamine (PubChem CID 80636920) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is N-[[6-(3,5-dimethylphenoxy)-3-pyridinyl]methyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[[6-(3,5-dimethylphenoxy)-3-pyridinyl]methyl]-2-methoxyethanamine
PubChem CID80636920
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC NameN-[[6-(3,5-dimethylphenoxy)-3-pyridinyl]methyl]-2-methoxyethanamine
SMILESCOCCNCc1ccc(Oc2cc(C)cc(C)c2)nc1
InChIInChI=1S/C17H22N2O2/c1-13-8-14(2)10-16(9-13)21-17-5-4-15(12-19-17)11-18-6-7-20-3/h4-5,8-10,12,18H,6-7,11H2,1-3H3
InChIKeyKXKJFDVCOHTQQC-UHFFFAOYSA-N
XLogP3.23
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[[6-(3,5-dimethylphenoxy)-3-pyridinyl]methyl]-2-methoxyethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methoxy-N-[[6-(3-methylphenoxy)-3-pyridinyl]methyl]ethanamine
CID 80636206
N-[[6-(3,4-dichlorophenoxy)-3-pyridinyl]methyl]-2-methoxyethanamine
CID 80638854
N-[[6-(3-iodophenoxy)-3-pyridinyl]methyl]-2-methoxyethanamine
CID 80633976
5-(chloromethyl)-2-(3,5-dimethylphenoxy)pyridine
CID 61270098
N-[[6-(3,5-dimethoxyphenoxy)-3-pyridinyl]methyl]ethanamine
CID 62297385
N-[[6-(3-chloro-2-fluorophenoxy)-3-pyridinyl]methyl]-2-methoxyethanamine
CID 116689533
N-[[6-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-3-pyridinyl]methyl]-2-methoxyethanamine
CID 102926136
N-[[6-(4-propylphenoxy)-3-pyridinyl]methyl]propan-1-amine
CID 62548588
1-[6-(3,5-dimethylphenoxy)-3-pyridinyl]butan-2-amine
CID 80640337
N,N-diethyl-5-[(2-methoxyethylamino)methyl]pyridin-2-amine
CID 80628259
N-[[6-(2-fluoro-5-methylphenoxy)-3-pyridinyl]methyl]propan-1-amine
CID 64853314
2-methoxy-N-[(5-methyl-6-pyridin-3-yloxy-3-pyridinyl)methyl]ethanamine
CID 80633302

Frequently Asked Questions

What is the IUPAC name of N-[[6-(3,5-dimethylphenoxy)-3-pyridinyl]methyl]-2-methoxyethanamine?
The IUPAC name of N-[[6-(3,5-dimethylphenoxy)-3-pyridinyl]methyl]-2-methoxyethanamine (CID 80636920) is N-[[6-(3,5-dimethylphenoxy)-3-pyridinyl]methyl]-2-methoxyethanamine.
What is the SMILES notation for N-[[6-(3,5-dimethylphenoxy)-3-pyridinyl]methyl]-2-methoxyethanamine?
The canonical SMILES for N-[[6-(3,5-dimethylphenoxy)-3-pyridinyl]methyl]-2-methoxyethanamine is COCCNCc1ccc(Oc2cc(C)cc(C)c2)nc1.
What is the InChIKey of N-[[6-(3,5-dimethylphenoxy)-3-pyridinyl]methyl]-2-methoxyethanamine?
The InChIKey is KXKJFDVCOHTQQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-13-8-14(2)10-16(9-13)21-17-5-4-15(12-19-17)11-18-6-7-20-3/h4-5,8-10,12,18H,6-7,11H2,1-3H3.
What are the key properties of N-[[6-(3,5-dimethylphenoxy)-3-pyridinyl]methyl]-2-methoxyethanamine?
N-[[6-(3,5-dimethylphenoxy)-3-pyridinyl]methyl]-2-methoxyethanamine has a molecular weight of 286.38 g/mol, XLogP of 3.23, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(3,5-dimethylphenoxy)-3-pyridinyl]methyl]-2-methoxyethanamine is sourced from PubChem (CID 80636920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).