3,4-diethoxy-N-(oxolan-3-ylmethyl)aniline

C15H23NO3 — CID 43193089

IUPAC3,4-diethoxy-N-(oxolan-3-ylmethyl)aniline
SMILESCCOc1ccc(NCC2CCOC2)cc1OCC
InChIInChI=1S/C15H23NO3/c1-3-18-14-6-5-13(9-15(14)19-4-2)16-10-12-7-8-17-11-12/h5-6,9,12,16H,3-4,7-8,10-11H2,1-2H3
InChIKeyAWNATTQBVCSDSS-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.93
Rot. Bonds7

About 3,4-diethoxy-N-(oxolan-3-ylmethyl)aniline

3,4-diethoxy-N-(oxolan-3-ylmethyl)aniline (PubChem CID 43193089) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 3,4-diethoxy-N-(oxolan-3-ylmethyl)aniline.

Molecular Properties

Compound Name3,4-diethoxy-N-(oxolan-3-ylmethyl)aniline
PubChem CID43193089
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name3,4-diethoxy-N-(oxolan-3-ylmethyl)aniline
SMILESCCOc1ccc(NCC2CCOC2)cc1OCC
InChIInChI=1S/C15H23NO3/c1-3-18-14-6-5-13(9-15(14)19-4-2)16-10-12-7-8-17-11-12/h5-6,9,12,16H,3-4,7-8,10-11H2,1-2H3
InChIKeyAWNATTQBVCSDSS-UHFFFAOYSA-N
XLogP2.93
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 ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

3-ethoxy-4-methoxy-N-(oxan-4-ylmethyl)aniline
CID 62384517
3,4-diethoxy-N-(piperidin-4-ylmethyl)aniline
CID 79699182
3-fluoro-4-methylsulfanyl-N-(oxolan-3-ylmethyl)aniline
CID 115887991
3-ethoxy-4-methoxy-N-(piperidin-4-ylmethyl)aniline
CID 79708094
3-iodo-4-methyl-N-(oxolan-3-ylmethyl)aniline
CID 43716317
3-ethylsulfanyl-N-(oxolan-3-ylmethyl)aniline
CID 115887989
2-(2-ethoxyphenoxy)-N-(oxolan-3-ylmethyl)ethanamine
CID 62571173
4-N-(oxolan-3-ylmethyl)benzene-1,4-diamine
CID 62824000
3-(methoxymethyl)-N-(oxolan-3-ylmethyl)aniline
CID 43672256
2-methyl-5-(oxolan-3-ylmethylamino)benzenesulfonamide
CID 43203352
3-(difluoromethoxy)-4-methoxy-N-(oxan-3-ylmethyl)aniline
CID 63739495
4-ethoxy-3-methyl-N-[[(3R)-oxolan-3-yl]methyl]benzenesulfonamide
CID 95126815

Frequently Asked Questions

What is the IUPAC name of 3,4-diethoxy-N-(oxolan-3-ylmethyl)aniline?
The IUPAC name of 3,4-diethoxy-N-(oxolan-3-ylmethyl)aniline (CID 43193089) is 3,4-diethoxy-N-(oxolan-3-ylmethyl)aniline.
What is the SMILES notation for 3,4-diethoxy-N-(oxolan-3-ylmethyl)aniline?
The canonical SMILES for 3,4-diethoxy-N-(oxolan-3-ylmethyl)aniline is CCOc1ccc(NCC2CCOC2)cc1OCC.
What is the InChIKey of 3,4-diethoxy-N-(oxolan-3-ylmethyl)aniline?
The InChIKey is AWNATTQBVCSDSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-3-18-14-6-5-13(9-15(14)19-4-2)16-10-12-7-8-17-11-12/h5-6,9,12,16H,3-4,7-8,10-11H2,1-2H3.
What are the key properties of 3,4-diethoxy-N-(oxolan-3-ylmethyl)aniline?
3,4-diethoxy-N-(oxolan-3-ylmethyl)aniline has a molecular weight of 265.35 g/mol, XLogP of 2.93, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-diethoxy-N-(oxolan-3-ylmethyl)aniline is sourced from PubChem (CID 43193089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).