N-benzyl-2-(oxan-4-ylmethoxy)ethanamine

C15H23NO2 — CID 62585148

IUPACN-benzyl-2-(oxan-4-ylmethoxy)ethanamine
SMILESc1ccc(CNCCOCC2CCOCC2)cc1
InChIInChI=1S/C15H23NO2/c1-2-4-14(5-3-1)12-16-8-11-18-13-15-6-9-17-10-7-15/h1-5,15-16H,6-13H2
InChIKeyUPYRLDOLUSYDGG-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.22
Rot. Bonds7

About N-benzyl-2-(oxan-4-ylmethoxy)ethanamine

N-benzyl-2-(oxan-4-ylmethoxy)ethanamine (PubChem CID 62585148) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is N-benzyl-2-(oxan-4-ylmethoxy)ethanamine.

Molecular Properties

Compound NameN-benzyl-2-(oxan-4-ylmethoxy)ethanamine
PubChem CID62585148
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC NameN-benzyl-2-(oxan-4-ylmethoxy)ethanamine
SMILESc1ccc(CNCCOCC2CCOCC2)cc1
InChIInChI=1S/C15H23NO2/c1-2-4-14(5-3-1)12-16-8-11-18-13-15-6-9-17-10-7-15/h1-5,15-16H,6-13H2
InChIKeyUPYRLDOLUSYDGG-UHFFFAOYSA-N
XLogP2.22
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 ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-benzyl-2-(oxan-4-ylmethoxy)ethanamine 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-benzyl-3-(cyclohexylmethoxy)propan-1-amine
CID 114782937
N-benzyl-2-(2-cyclopropylethoxy)ethanamine
CID 106206256
2-(cyclopropylmethoxy)-N-[(4-fluorophenyl)methyl]ethanamine
CID 103653259
N-[(4-chlorophenyl)methyl]-2-(cyclopropylmethoxy)ethanamine
CID 103653224
N-[(4-bromophenyl)methyl]-2-(cyclopropylmethoxy)ethanamine;hydrochloride
CID 115618403
N-benzyl-2-(2-cyclobutylethoxy)ethanamine
CID 106206343
N-[(3-bromophenyl)methyl]-2-(cyclopropylmethoxy)ethanamine
CID 103653164
N-[(3-chlorophenyl)methyl]-2-(cyclopropylmethoxy)ethanamine;hydrochloride
CID 115618387
1-(oxan-4-yl)-N-[(4-phenylphenyl)methyl]methanamine
CID 62351928
4-(phenylmethoxymethyl)oxepane
CID 151980287
2-methyl-1-[3-(oxan-4-ylmethoxy)propyl]-3-[[4-(phenylmethoxymethyl)phenyl]methyl]guanidine;hydroiodide
CID 111643343
2-(oxan-4-ylmethoxy)-N-(oxolan-3-ylmethyl)ethanamine
CID 62582727

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(oxan-4-ylmethoxy)ethanamine?
The IUPAC name of N-benzyl-2-(oxan-4-ylmethoxy)ethanamine (CID 62585148) is N-benzyl-2-(oxan-4-ylmethoxy)ethanamine.
What is the SMILES notation for N-benzyl-2-(oxan-4-ylmethoxy)ethanamine?
The canonical SMILES for N-benzyl-2-(oxan-4-ylmethoxy)ethanamine is c1ccc(CNCCOCC2CCOCC2)cc1.
What is the InChIKey of N-benzyl-2-(oxan-4-ylmethoxy)ethanamine?
The InChIKey is UPYRLDOLUSYDGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-2-4-14(5-3-1)12-16-8-11-18-13-15-6-9-17-10-7-15/h1-5,15-16H,6-13H2.
What are the key properties of N-benzyl-2-(oxan-4-ylmethoxy)ethanamine?
N-benzyl-2-(oxan-4-ylmethoxy)ethanamine has a molecular weight of 249.35 g/mol, XLogP of 2.22, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(oxan-4-ylmethoxy)ethanamine is sourced from PubChem (CID 62585148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).