N-[3-(2-methoxyethoxymethyl)phenyl]oxan-4-amine

C15H23NO3 — CID 54863387

IUPACN-[3-(2-methoxyethoxymethyl)phenyl]oxan-4-amine
SMILESCOCCOCc1cccc(NC2CCOCC2)c1
InChIInChI=1S/C15H23NO3/c1-17-9-10-19-12-13-3-2-4-15(11-13)16-14-5-7-18-8-6-14/h2-4,11,14,16H,5-10,12H2,1H3
InChIKeyWHXSUXYMJYRRCP-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.44
Rot. Bonds7

About N-[3-(2-methoxyethoxymethyl)phenyl]oxan-4-amine

N-[3-(2-methoxyethoxymethyl)phenyl]oxan-4-amine (PubChem CID 54863387) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is N-[3-(2-methoxyethoxymethyl)phenyl]oxan-4-amine.

Molecular Properties

Compound NameN-[3-(2-methoxyethoxymethyl)phenyl]oxan-4-amine
PubChem CID54863387
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC NameN-[3-(2-methoxyethoxymethyl)phenyl]oxan-4-amine
SMILESCOCCOCc1cccc(NC2CCOCC2)c1
InChIInChI=1S/C15H23NO3/c1-17-9-10-19-12-13-3-2-4-15(11-13)16-14-5-7-18-8-6-14/h2-4,11,14,16H,5-10,12H2,1H3
InChIKeyWHXSUXYMJYRRCP-UHFFFAOYSA-N
XLogP2.44
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.44
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-cyclopropyl-3-(2-methoxyethoxymethyl)aniline
CID 103439171
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N-(1-cyclohexylethyl)-3-(2-methoxyethoxymethyl)aniline
CID 60942752
N-(2,4-dimethylcyclohexyl)-3-(2-methoxyethoxymethyl)aniline
CID 64761884
3-[3-(2-methoxyethoxymethyl)anilino]-1-methylpyrrolidine-2,5-dione
CID 60934098
1,3-bis(2-methoxyethoxymethyl)benzene
CID 14086847
N-[[3-(2-methoxyethoxymethyl)phenyl]methyl]cyclopropanamine
CID 55077799
3-[3-(2-methoxyethoxymethyl)anilino]pyrrolidine-2,5-dione
CID 60933972
N-(3-methoxycyclobutyl)-3-(methoxymethyl)aniline
CID 104870383
N-[3-(methoxymethyl)phenyl]-6-oxaspiro[4.5]decan-9-amine
CID 79895159
N-cyclopropyl-3-(2-methoxyethoxy)aniline
CID 103439187
N-ethyl-3-(oxan-4-ylamino)benzamide
CID 43680696

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-methoxyethoxymethyl)phenyl]oxan-4-amine?
The IUPAC name of N-[3-(2-methoxyethoxymethyl)phenyl]oxan-4-amine (CID 54863387) is N-[3-(2-methoxyethoxymethyl)phenyl]oxan-4-amine.
What is the SMILES notation for N-[3-(2-methoxyethoxymethyl)phenyl]oxan-4-amine?
The canonical SMILES for N-[3-(2-methoxyethoxymethyl)phenyl]oxan-4-amine is COCCOCc1cccc(NC2CCOCC2)c1.
What is the InChIKey of N-[3-(2-methoxyethoxymethyl)phenyl]oxan-4-amine?
The InChIKey is WHXSUXYMJYRRCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-17-9-10-19-12-13-3-2-4-15(11-13)16-14-5-7-18-8-6-14/h2-4,11,14,16H,5-10,12H2,1H3.
What are the key properties of N-[3-(2-methoxyethoxymethyl)phenyl]oxan-4-amine?
N-[3-(2-methoxyethoxymethyl)phenyl]oxan-4-amine has a molecular weight of 265.35 g/mol, XLogP of 2.44, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-methoxyethoxymethyl)phenyl]oxan-4-amine is sourced from PubChem (CID 54863387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).