N-[[6-[(2,3-dimethylphenoxy)methyl]-2-pyridinyl]methyl]propan-1-amine

C18H24N2O — CID 106907958

IUPACN-[[6-[(2,3-dimethylphenoxy)methyl]-2-pyridinyl]methyl]propan-1-amine
SMILESCCCNCc1cccc(COc2cccc(C)c2C)n1
InChIInChI=1S/C18H24N2O/c1-4-11-19-12-16-8-6-9-17(20-16)13-21-18-10-5-7-14(2)15(18)3/h5-10,19H,4,11-13H2,1-3H3
InChIKeyXMXLQTWIPNCAMC-UHFFFAOYSA-N
MW284.40 g/mol
LogP3.78
Rot. Bonds7

About N-[[6-[(2,3-dimethylphenoxy)methyl]-2-pyridinyl]methyl]propan-1-amine

N-[[6-[(2,3-dimethylphenoxy)methyl]-2-pyridinyl]methyl]propan-1-amine (PubChem CID 106907958) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is N-[[6-[(2,3-dimethylphenoxy)methyl]-2-pyridinyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[6-[(2,3-dimethylphenoxy)methyl]-2-pyridinyl]methyl]propan-1-amine
PubChem CID106907958
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC NameN-[[6-[(2,3-dimethylphenoxy)methyl]-2-pyridinyl]methyl]propan-1-amine
SMILESCCCNCc1cccc(COc2cccc(C)c2C)n1
InChIInChI=1S/C18H24N2O/c1-4-11-19-12-16-8-6-9-17(20-16)13-21-18-10-5-7-14(2)15(18)3/h5-10,19H,4,11-13H2,1-3H3
InChIKeyXMXLQTWIPNCAMC-UHFFFAOYSA-N
XLogP3.78
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[[6-[(2,3-dimethylphenoxy)methyl]-2-pyridinyl]methyl]propan-1-amine 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

N-[[6-[(5-fluoro-2-methylphenoxy)methyl]-2-pyridinyl]methyl]propan-1-amine
CID 106908714
N-[[6-[(2,3-difluorophenoxy)methyl]-2-pyridinyl]methyl]propan-1-amine
CID 106908315
N-[[6-[(2,3-dimethylphenoxy)methyl]-2-pyridinyl]methyl]propan-2-amine
CID 106907961
N-[[6-(propylaminomethyl)-2-pyridinyl]methyl]propan-1-amine
CID 11501840
N-[[6-[(2-fluoro-3-methylphenoxy)methyl]-2-pyridinyl]methyl]ethanamine
CID 107661247
N-[[6-[(5-methyl-1H-pyrazol-3-yl)oxymethyl]-2-pyridinyl]methyl]propan-1-amine
CID 106908531
2-[(2,3-dimethylphenoxy)methyl]-6-methoxypyridine
CID 103432339
N-[[6-(hexoxymethyl)-2-pyridinyl]methyl]propan-1-amine
CID 106907788
N-[[6-(2,3,6-trimethylphenoxy)-2-pyridinyl]methyl]propan-1-amine
CID 62322224
N-[[6-[(3,4-dichlorophenoxy)methyl]-2-pyridinyl]methyl]propan-1-amine
CID 106908243
N-[[6-[(1,3,5-trimethylpyrazol-4-yl)oxymethyl]-2-pyridinyl]methyl]propan-1-amine
CID 106908455
N-[[5-[(2,3-dimethylphenoxy)methyl]-2-methylfuran-3-yl]methyl]propan-1-amine
CID 62454363

Frequently Asked Questions

What is the IUPAC name of N-[[6-[(2,3-dimethylphenoxy)methyl]-2-pyridinyl]methyl]propan-1-amine?
The IUPAC name of N-[[6-[(2,3-dimethylphenoxy)methyl]-2-pyridinyl]methyl]propan-1-amine (CID 106907958) is N-[[6-[(2,3-dimethylphenoxy)methyl]-2-pyridinyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[6-[(2,3-dimethylphenoxy)methyl]-2-pyridinyl]methyl]propan-1-amine?
The canonical SMILES for N-[[6-[(2,3-dimethylphenoxy)methyl]-2-pyridinyl]methyl]propan-1-amine is CCCNCc1cccc(COc2cccc(C)c2C)n1.
What is the InChIKey of N-[[6-[(2,3-dimethylphenoxy)methyl]-2-pyridinyl]methyl]propan-1-amine?
The InChIKey is XMXLQTWIPNCAMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c1-4-11-19-12-16-8-6-9-17(20-16)13-21-18-10-5-7-14(2)15(18)3/h5-10,19H,4,11-13H2,1-3H3.
What are the key properties of N-[[6-[(2,3-dimethylphenoxy)methyl]-2-pyridinyl]methyl]propan-1-amine?
N-[[6-[(2,3-dimethylphenoxy)methyl]-2-pyridinyl]methyl]propan-1-amine has a molecular weight of 284.40 g/mol, XLogP of 3.78, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-[(2,3-dimethylphenoxy)methyl]-2-pyridinyl]methyl]propan-1-amine is sourced from PubChem (CID 106907958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).