4-ethoxy-3-(oxan-2-ylmethoxymethyl)aniline

C15H23NO3 — CID 43260061

IUPAC4-ethoxy-3-(oxan-2-ylmethoxymethyl)aniline
SMILESCCOc1ccc(N)cc1COCC1CCCCO1
InChIInChI=1S/C15H23NO3/c1-2-18-15-7-6-13(16)9-12(15)10-17-11-14-5-3-4-8-19-14/h6-7,9,14H,2-5,8,10-11,16H2,1H3
InChIKeyUNKJOHGXFBIQGX-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.75
Rot. Bonds6

About 4-ethoxy-3-(oxan-2-ylmethoxymethyl)aniline

4-ethoxy-3-(oxan-2-ylmethoxymethyl)aniline (PubChem CID 43260061) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 4-ethoxy-3-(oxan-2-ylmethoxymethyl)aniline.

Molecular Properties

Compound Name4-ethoxy-3-(oxan-2-ylmethoxymethyl)aniline
PubChem CID43260061
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name4-ethoxy-3-(oxan-2-ylmethoxymethyl)aniline
SMILESCCOc1ccc(N)cc1COCC1CCCCO1
InChIInChI=1S/C15H23NO3/c1-2-18-15-7-6-13(16)9-12(15)10-17-11-14-5-3-4-8-19-14/h6-7,9,14H,2-5,8,10-11,16H2,1H3
InChIKeyUNKJOHGXFBIQGX-UHFFFAOYSA-N
XLogP2.75
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-ethoxy-3-[[methyl(oxan-2-ylmethyl)amino]methyl]aniline
CID 61431598
4-methoxy-3-(oxan-2-ylmethoxy)aniline
CID 43591699
4-ethoxy-3-(propoxymethyl)aniline
CID 43260240
1-[3-ethoxy-4-(oxan-2-ylmethoxy)phenyl]propan-2-amine
CID 60908110
3-[[cyclopentyl(ethyl)amino]methyl]-4-ethoxyaniline
CID 43540722
4-methoxy-3-(oxolan-2-ylmethoxymethyl)benzoic acid
CID 62023686
4-ethoxy-5-fluoro-2-(oxan-2-ylmethoxy)aniline
CID 55216471
2-[3-ethoxy-2-(oxan-2-ylmethoxy)phenyl]ethanamine
CID 60904856
4-ethoxy-3-(ethoxymethyl)-N-(oxolan-2-ylmethyl)benzamide
CID 133149981
4-ethoxy-3-[2-(2-methoxyethoxy)ethoxymethyl]aniline
CID 104560280
[5-methyl-4-(oxan-2-ylmethoxymethyl)furan-2-yl]methanamine
CID 62445276
[3-(oxan-2-ylmethoxymethyl)furan-2-yl]methanamine
CID 62443550

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-3-(oxan-2-ylmethoxymethyl)aniline?
The IUPAC name of 4-ethoxy-3-(oxan-2-ylmethoxymethyl)aniline (CID 43260061) is 4-ethoxy-3-(oxan-2-ylmethoxymethyl)aniline.
What is the SMILES notation for 4-ethoxy-3-(oxan-2-ylmethoxymethyl)aniline?
The canonical SMILES for 4-ethoxy-3-(oxan-2-ylmethoxymethyl)aniline is CCOc1ccc(N)cc1COCC1CCCCO1.
What is the InChIKey of 4-ethoxy-3-(oxan-2-ylmethoxymethyl)aniline?
The InChIKey is UNKJOHGXFBIQGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-2-18-15-7-6-13(16)9-12(15)10-17-11-14-5-3-4-8-19-14/h6-7,9,14H,2-5,8,10-11,16H2,1H3.
What are the key properties of 4-ethoxy-3-(oxan-2-ylmethoxymethyl)aniline?
4-ethoxy-3-(oxan-2-ylmethoxymethyl)aniline has a molecular weight of 265.35 g/mol, XLogP of 2.75, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-3-(oxan-2-ylmethoxymethyl)aniline is sourced from PubChem (CID 43260061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).