N-methyl-2-[4-[2-(oxolan-3-ylmethoxy)phenyl]phenoxy]ethanamine

C20H25NO3 — CID 154742408

IUPACN-methyl-2-[4-[2-(oxolan-3-ylmethoxy)phenyl]phenoxy]ethanamine
SMILESCNCCOc1ccc(-c2ccccc2OCC2CCOC2)cc1
InChIInChI=1S/C20H25NO3/c1-21-11-13-23-18-8-6-17(7-9-18)19-4-2-3-5-20(19)24-15-16-10-12-22-14-16/h2-9,16,21H,10-15H2,1H3
InChIKeyDILCRIMFJDVXFI-UHFFFAOYSA-N
MW327.42 g/mol
LogP3.37
Rot. Bonds8

About N-methyl-2-[4-[2-(oxolan-3-ylmethoxy)phenyl]phenoxy]ethanamine

N-methyl-2-[4-[2-(oxolan-3-ylmethoxy)phenyl]phenoxy]ethanamine (PubChem CID 154742408) has the molecular formula C20H25NO3 and a molecular weight of 327.42 g/mol. Its IUPAC name is N-methyl-2-[4-[2-(oxolan-3-ylmethoxy)phenyl]phenoxy]ethanamine.

Molecular Properties

Compound NameN-methyl-2-[4-[2-(oxolan-3-ylmethoxy)phenyl]phenoxy]ethanamine
PubChem CID154742408
Molecular FormulaC20H25NO3
Molecular Weight327.42 g/mol
Exact Mass327.18
IUPAC NameN-methyl-2-[4-[2-(oxolan-3-ylmethoxy)phenyl]phenoxy]ethanamine
SMILESCNCCOc1ccc(-c2ccccc2OCC2CCOC2)cc1
InChIInChI=1S/C20H25NO3/c1-21-11-13-23-18-8-6-17(7-9-18)19-4-2-3-5-20(19)24-15-16-10-12-22-14-16/h2-9,16,21H,10-15H2,1H3
InChIKeyDILCRIMFJDVXFI-UHFFFAOYSA-N
XLogP3.37
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.42
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[(2-fluorophenoxy)methyl]oxolane
CID 60773526
2-(2-ethoxyphenoxy)-N-(oxolan-3-ylmethyl)ethanamine
CID 62571173
N-[2-(oxolan-3-yl)ethyl]-3-phenoxypropan-1-amine
CID 102671422
2-methyl-1-[4-(4-methylphenoxy)butyl]-3-[3-(oxolan-3-ylmethoxy)propyl]guanidine
CID 111645744
3-[(4-iodophenoxy)methyl]oxolane
CID 60772514
N-methyl-1-[4-(oxolan-3-ylmethoxy)quinolin-2-yl]methanamine
CID 63377053
4-methyl-5-[2-(oxolan-3-ylmethoxy)phenyl]thiophene-2-carboxylic acid
CID 167945928
N-[[4-(oxolan-3-ylmethoxy)phenyl]methyl]ethanamine
CID 61311099
4-[4-[2-(oxolan-3-ylmethoxy)phenyl]pyrazol-1-yl]-1,3-thiazole
CID 136571987
2-methyl-1-[2-(2-methylphenoxy)ethyl]-3-[3-(oxolan-3-ylmethoxy)propyl]guanidine
CID 111645104
4-[4-(oxolan-3-ylmethoxy)phenyl]-N-pyridin-2-ylpyridin-2-amine
CID 166329603
[5-[2-(oxolan-3-ylmethoxy)phenyl]furo[3,2-b]pyridin-2-yl]methanol
CID 146141480

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[4-[2-(oxolan-3-ylmethoxy)phenyl]phenoxy]ethanamine?
The IUPAC name of N-methyl-2-[4-[2-(oxolan-3-ylmethoxy)phenyl]phenoxy]ethanamine (CID 154742408) is N-methyl-2-[4-[2-(oxolan-3-ylmethoxy)phenyl]phenoxy]ethanamine.
What is the SMILES notation for N-methyl-2-[4-[2-(oxolan-3-ylmethoxy)phenyl]phenoxy]ethanamine?
The canonical SMILES for N-methyl-2-[4-[2-(oxolan-3-ylmethoxy)phenyl]phenoxy]ethanamine is CNCCOc1ccc(-c2ccccc2OCC2CCOC2)cc1.
What is the InChIKey of N-methyl-2-[4-[2-(oxolan-3-ylmethoxy)phenyl]phenoxy]ethanamine?
The InChIKey is DILCRIMFJDVXFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO3/c1-21-11-13-23-18-8-6-17(7-9-18)19-4-2-3-5-20(19)24-15-16-10-12-22-14-16/h2-9,16,21H,10-15H2,1H3.
What are the key properties of N-methyl-2-[4-[2-(oxolan-3-ylmethoxy)phenyl]phenoxy]ethanamine?
N-methyl-2-[4-[2-(oxolan-3-ylmethoxy)phenyl]phenoxy]ethanamine has a molecular weight of 327.42 g/mol, XLogP of 3.37, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[4-[2-(oxolan-3-ylmethoxy)phenyl]phenoxy]ethanamine is sourced from PubChem (CID 154742408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).