N-methyl-1-[2-[2-(oxolan-2-ylmethoxy)ethoxy]phenyl]methanamine

C15H23NO3 — CID 55077796

IUPACN-methyl-1-[2-[2-(oxolan-2-ylmethoxy)ethoxy]phenyl]methanamine
SMILESCNCc1ccccc1OCCOCC1CCCO1
InChIInChI=1S/C15H23NO3/c1-16-11-13-5-2-3-7-15(13)19-10-9-17-12-14-6-4-8-18-14/h2-3,5,7,14,16H,4,6,8-12H2,1H3
InChIKeyJAOXITKMSYGJDD-UHFFFAOYSA-N
MW265.35 g/mol
LogP1.98
Rot. Bonds8

About N-methyl-1-[2-[2-(oxolan-2-ylmethoxy)ethoxy]phenyl]methanamine

N-methyl-1-[2-[2-(oxolan-2-ylmethoxy)ethoxy]phenyl]methanamine (PubChem CID 55077796) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is N-methyl-1-[2-[2-(oxolan-2-ylmethoxy)ethoxy]phenyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[2-[2-(oxolan-2-ylmethoxy)ethoxy]phenyl]methanamine
PubChem CID55077796
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC NameN-methyl-1-[2-[2-(oxolan-2-ylmethoxy)ethoxy]phenyl]methanamine
SMILESCNCc1ccccc1OCCOCC1CCCO1
InChIInChI=1S/C15H23NO3/c1-16-11-13-5-2-3-7-15(13)19-10-9-17-12-14-6-4-8-18-14/h2-3,5,7,14,16H,4,6,8-12H2,1H3
InChIKeyJAOXITKMSYGJDD-UHFFFAOYSA-N
XLogP1.98
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 51.98
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

N-methyl-1-[2-[2-(oxan-2-ylmethoxy)ethoxy]phenyl]methanamine
CID 62444128
N-[[2-(2-ethoxyethoxy)phenyl]methyl]-1-(oxolan-2-yl)methanamine
CID 46736214
2,2-dimethyl-N-[[2-(oxolan-2-ylmethoxy)phenyl]methyl]propan-1-amine
CID 54805225
2-methyl-N-[[2-(oxolan-2-ylmethoxy)phenyl]methyl]propan-1-amine
CID 63063949
N-[(2-butoxyphenyl)methyl]-1-(oxolan-2-yl)methanamine
CID 46736211
1-[(2-methoxyphenyl)methyl]-2-methyl-3-[3-(oxolan-2-ylmethoxy)propyl]guanidine;hydroiodide
CID 111216136
N-(furan-2-ylmethyl)-1-[2-(oxolan-2-ylmethoxy)phenyl]methanamine
CID 54850096
2-(2-methylphenyl)-N-[3-[[(2R)-oxolan-2-yl]methoxy]propyl]acetamide
CID 94421971
2-(2-methylphenyl)-N-[[2-(oxolan-2-ylmethoxy)phenyl]methyl]ethanamine
CID 54807643
2-methyl-1-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]-3-[3-(oxolan-2-ylmethoxy)propyl]guanidine
CID 111407811
[2-[[(2S)-oxolan-2-yl]methoxy]phenyl]methanol
CID 28562688
2-methyl-N-[[2-[3-(oxolan-2-yl)propoxy]phenyl]methyl]propan-1-amine
CID 65158500

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[2-[2-(oxolan-2-ylmethoxy)ethoxy]phenyl]methanamine?
The IUPAC name of N-methyl-1-[2-[2-(oxolan-2-ylmethoxy)ethoxy]phenyl]methanamine (CID 55077796) is N-methyl-1-[2-[2-(oxolan-2-ylmethoxy)ethoxy]phenyl]methanamine.
What is the SMILES notation for N-methyl-1-[2-[2-(oxolan-2-ylmethoxy)ethoxy]phenyl]methanamine?
The canonical SMILES for N-methyl-1-[2-[2-(oxolan-2-ylmethoxy)ethoxy]phenyl]methanamine is CNCc1ccccc1OCCOCC1CCCO1.
What is the InChIKey of N-methyl-1-[2-[2-(oxolan-2-ylmethoxy)ethoxy]phenyl]methanamine?
The InChIKey is JAOXITKMSYGJDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-16-11-13-5-2-3-7-15(13)19-10-9-17-12-14-6-4-8-18-14/h2-3,5,7,14,16H,4,6,8-12H2,1H3.
What are the key properties of N-methyl-1-[2-[2-(oxolan-2-ylmethoxy)ethoxy]phenyl]methanamine?
N-methyl-1-[2-[2-(oxolan-2-ylmethoxy)ethoxy]phenyl]methanamine has a molecular weight of 265.35 g/mol, XLogP of 1.98, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[2-[2-(oxolan-2-ylmethoxy)ethoxy]phenyl]methanamine is sourced from PubChem (CID 55077796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).