N-[(2-phenoxy-4-pyridinyl)methyl]propan-1-amine

C15H18N2O — CID 62296638

IUPACN-[(2-phenoxy-4-pyridinyl)methyl]propan-1-amine
SMILESCCCNCc1ccnc(Oc2ccccc2)c1
InChIInChI=1S/C15H18N2O/c1-2-9-16-12-13-8-10-17-15(11-13)18-14-6-4-3-5-7-14/h3-8,10-11,16H,2,9,12H2,1H3
InChIKeyLLMLUNUQXRVRGE-UHFFFAOYSA-N
MW242.32 g/mol
LogP3.37
Rot. Bonds6

About N-[(2-phenoxy-4-pyridinyl)methyl]propan-1-amine

N-[(2-phenoxy-4-pyridinyl)methyl]propan-1-amine (PubChem CID 62296638) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is N-[(2-phenoxy-4-pyridinyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(2-phenoxy-4-pyridinyl)methyl]propan-1-amine
PubChem CID62296638
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC NameN-[(2-phenoxy-4-pyridinyl)methyl]propan-1-amine
SMILESCCCNCc1ccnc(Oc2ccccc2)c1
InChIInChI=1S/C15H18N2O/c1-2-9-16-12-13-8-10-17-15(11-13)18-14-6-4-3-5-7-14/h3-8,10-11,16H,2,9,12H2,1H3
InChIKeyLLMLUNUQXRVRGE-UHFFFAOYSA-N
XLogP3.37
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[(2-phenoxy-4-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-[[2-(3-bromo-4-fluorophenoxy)-4-pyridinyl]methyl]propan-1-amine
CID 83234738
N-[[2-(1-propan-2-ylpyrazol-4-yl)oxy-4-pyridinyl]methyl]propan-1-amine
CID 116803088
N-[[2-(1,3-benzodioxol-5-yloxy)-4-pyridinyl]methyl]propan-1-amine
CID 62295833
N-[[2-(2,3-dichlorophenoxy)-4-pyridinyl]methyl]propan-1-amine
CID 62298106
4-[(dipropylsulfamoylamino)methyl]-2-phenoxypyridine
CID 47064941
N-[[2-(2-propoxyethoxy)-4-pyridinyl]methyl]propan-1-amine
CID 55231672
N-[[2-(2-methoxy-4-methylphenoxy)-4-pyridinyl]methyl]propan-1-amine
CID 62296337
N-[[2-[(4-bromophenyl)methoxy]-4-pyridinyl]methyl]propan-1-amine
CID 82831459
N-[[2-[2-(diethylamino)ethoxy]-4-pyridinyl]methyl]propan-1-amine
CID 62296826
N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-(2-phenoxy-4-pyridinyl)methanamine
CID 51104998
2-(2-phenoxy-4-pyridinyl)ethanamine
CID 154870139
N-[(2-phenoxy-3-pyridinyl)methyl]propan-1-amine
CID 62295599

Frequently Asked Questions

What is the IUPAC name of N-[(2-phenoxy-4-pyridinyl)methyl]propan-1-amine?
The IUPAC name of N-[(2-phenoxy-4-pyridinyl)methyl]propan-1-amine (CID 62296638) is N-[(2-phenoxy-4-pyridinyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(2-phenoxy-4-pyridinyl)methyl]propan-1-amine?
The canonical SMILES for N-[(2-phenoxy-4-pyridinyl)methyl]propan-1-amine is CCCNCc1ccnc(Oc2ccccc2)c1.
What is the InChIKey of N-[(2-phenoxy-4-pyridinyl)methyl]propan-1-amine?
The InChIKey is LLMLUNUQXRVRGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c1-2-9-16-12-13-8-10-17-15(11-13)18-14-6-4-3-5-7-14/h3-8,10-11,16H,2,9,12H2,1H3.
What are the key properties of N-[(2-phenoxy-4-pyridinyl)methyl]propan-1-amine?
N-[(2-phenoxy-4-pyridinyl)methyl]propan-1-amine has a molecular weight of 242.32 g/mol, XLogP of 3.37, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-phenoxy-4-pyridinyl)methyl]propan-1-amine is sourced from PubChem (CID 62296638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).