N-[[3-(oxolan-3-ylmethoxy)phenyl]methyl]propan-1-amine

C15H23NO2 — CID 61313216

IUPACN-[[3-(oxolan-3-ylmethoxy)phenyl]methyl]propan-1-amine
SMILESCCCNCc1cccc(OCC2CCOC2)c1
InChIInChI=1S/C15H23NO2/c1-2-7-16-10-13-4-3-5-15(9-13)18-12-14-6-8-17-11-14/h3-5,9,14,16H,2,6-8,10-12H2,1H3
InChIKeyLEFCAQAFFXCITE-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.60
Rot. Bonds7

About N-[[3-(oxolan-3-ylmethoxy)phenyl]methyl]propan-1-amine

N-[[3-(oxolan-3-ylmethoxy)phenyl]methyl]propan-1-amine (PubChem CID 61313216) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is N-[[3-(oxolan-3-ylmethoxy)phenyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[3-(oxolan-3-ylmethoxy)phenyl]methyl]propan-1-amine
PubChem CID61313216
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC NameN-[[3-(oxolan-3-ylmethoxy)phenyl]methyl]propan-1-amine
SMILESCCCNCc1cccc(OCC2CCOC2)c1
InChIInChI=1S/C15H23NO2/c1-2-7-16-10-13-4-3-5-15(9-13)18-12-14-6-8-17-11-14/h3-5,9,14,16H,2,6-8,10-12H2,1H3
InChIKeyLEFCAQAFFXCITE-UHFFFAOYSA-N
XLogP2.60
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[[3-(oxolan-3-ylmethoxy)phenyl]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-[[3-fluoro-4-(oxolan-3-ylmethoxy)phenyl]methyl]propan-1-amine
CID 107687270
2-(3-ethylphenoxy)-N-(oxolan-3-ylmethyl)ethanamine
CID 62597949
N-[[4-(oxolan-3-ylmethoxy)phenyl]methyl]ethanamine
CID 61311099
N-[[3-ethoxy-2-(oxolan-3-ylmethoxy)phenyl]methyl]propan-1-amine
CID 61311100
N-[[3-(cyclopropylmethoxy)phenyl]methyl]-2-methoxyethanamine
CID 63055892
6-(oxolan-3-ylmethoxy)-N-propyl-2,3-dihydro-1-benzofuran-3-amine
CID 63096050
N-[[4-methoxy-2-(oxolan-3-ylmethoxy)phenyl]methyl]propan-1-amine
CID 61312439
N-[[3-(cyclobutylmethoxy)phenyl]methyl]-2-methoxyethanamine
CID 65457089
2-(3-ethoxyphenoxy)-N-(oxolan-3-ylmethyl)ethanamine
CID 62583804
N-[[3-(oxan-4-ylmethylsulfanyl)phenyl]methyl]propan-1-amine
CID 66347473
N-[[3-[2-(2-cyclobutylethoxy)ethoxy]phenyl]methyl]propan-1-amine
CID 106206080
N-[[3-(oxolan-3-yloxy)phenyl]methyl]ethanamine
CID 63556352

Frequently Asked Questions

What is the IUPAC name of N-[[3-(oxolan-3-ylmethoxy)phenyl]methyl]propan-1-amine?
The IUPAC name of N-[[3-(oxolan-3-ylmethoxy)phenyl]methyl]propan-1-amine (CID 61313216) is N-[[3-(oxolan-3-ylmethoxy)phenyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[3-(oxolan-3-ylmethoxy)phenyl]methyl]propan-1-amine?
The canonical SMILES for N-[[3-(oxolan-3-ylmethoxy)phenyl]methyl]propan-1-amine is CCCNCc1cccc(OCC2CCOC2)c1.
What is the InChIKey of N-[[3-(oxolan-3-ylmethoxy)phenyl]methyl]propan-1-amine?
The InChIKey is LEFCAQAFFXCITE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-2-7-16-10-13-4-3-5-15(9-13)18-12-14-6-8-17-11-14/h3-5,9,14,16H,2,6-8,10-12H2,1H3.
What are the key properties of N-[[3-(oxolan-3-ylmethoxy)phenyl]methyl]propan-1-amine?
N-[[3-(oxolan-3-ylmethoxy)phenyl]methyl]propan-1-amine has a molecular weight of 249.35 g/mol, XLogP of 2.60, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(oxolan-3-ylmethoxy)phenyl]methyl]propan-1-amine is sourced from PubChem (CID 61313216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).