2-(oxiran-2-ylmethoxy)-N,N-bis(oxiran-2-ylmethyl)aniline

C15H19NO4 — CID 13388225

IUPAC2-(oxiran-2-ylmethoxy)-N,N-bis(oxiran-2-ylmethyl)aniline
SMILESc1ccc(N(CC2CO2)CC2CO2)c(OCC2CO2)c1
InChIInChI=1S/C15H19NO4/c1-2-4-15(20-10-13-9-19-13)14(3-1)16(5-11-7-17-11)6-12-8-18-12/h1-4,11-13H,5-10H2
InChIKeyJOYONZOLHMLNGF-UHFFFAOYSA-N
MW277.32 g/mol
LogP1.07
Rot. Bonds8

About 2-(oxiran-2-ylmethoxy)-N,N-bis(oxiran-2-ylmethyl)aniline

2-(oxiran-2-ylmethoxy)-N,N-bis(oxiran-2-ylmethyl)aniline (PubChem CID 13388225) has the molecular formula C15H19NO4 and a molecular weight of 277.32 g/mol. Its IUPAC name is 2-(oxiran-2-ylmethoxy)-N,N-bis(oxiran-2-ylmethyl)aniline.

Molecular Properties

Compound Name2-(oxiran-2-ylmethoxy)-N,N-bis(oxiran-2-ylmethyl)aniline
PubChem CID13388225
Molecular FormulaC15H19NO4
Molecular Weight277.32 g/mol
Exact Mass277.13
IUPAC Name2-(oxiran-2-ylmethoxy)-N,N-bis(oxiran-2-ylmethyl)aniline
SMILESc1ccc(N(CC2CO2)CC2CO2)c(OCC2CO2)c1
InChIInChI=1S/C15H19NO4/c1-2-4-15(20-10-13-9-19-13)14(3-1)16(5-11-7-17-11)6-12-8-18-12/h1-4,11-13H,5-10H2
InChIKeyJOYONZOLHMLNGF-UHFFFAOYSA-N
XLogP1.07
TPSA50.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-[(2-iodophenoxy)methyl]oxirane
CID 57462593
bis(2-[(2-methylphenoxy)methyl]oxirane);propane
CID 91036467
2-methyl-4-(oxiran-2-ylmethoxy)-N,N-bis(oxiran-2-ylmethyl)aniline
CID 18475217
ethane;2-[[2-[[2-(oxiran-2-ylmethoxy)phenyl]methyl]phenoxy]methyl]oxirane
CID 158003640
2-[[2-[[2-(oxiran-2-ylmethoxy)-3-[[2-(oxiran-2-ylmethoxy)-3-[[2-(oxiran-2-ylmethoxy)phenyl]methyl]phenyl]methyl]phenyl]methyl]phenoxy]methyl]oxirane
CID 134322112
[2-[[(2R)-oxiran-2-yl]methoxy]phenyl] formate
CID 165349007
2-[[2-[1-[2-(oxiran-2-ylmethoxy)phenyl]ethyl]phenoxy]methyl]oxirane
CID 22904212
3-ethyl-4-(oxiran-2-ylmethoxy)-N,N-bis(oxiran-2-ylmethyl)aniline
CID 162364645
2-[(2-methylphenoxy)methyl]oxirane;oxiran-2-ylmethanol
CID 174918196
(2S)-2-[[2-[2,3,5,6-tetrafluoro-4-[2-[[(2R)-oxiran-2-yl]methoxy]phenoxy]phenoxy]phenoxy]methyl]oxirane
CID 2308866
N,N-bis(oxiran-2-ylmethyl)aniline
CID 16412
1,3,5-tris[2-(oxiran-2-ylmethoxy)phenyl]-1,3,5-triazinane-2,4,6-trione
CID 15745049

Frequently Asked Questions

What is the IUPAC name of 2-(oxiran-2-ylmethoxy)-N,N-bis(oxiran-2-ylmethyl)aniline?
The IUPAC name of 2-(oxiran-2-ylmethoxy)-N,N-bis(oxiran-2-ylmethyl)aniline (CID 13388225) is 2-(oxiran-2-ylmethoxy)-N,N-bis(oxiran-2-ylmethyl)aniline.
What is the SMILES notation for 2-(oxiran-2-ylmethoxy)-N,N-bis(oxiran-2-ylmethyl)aniline?
The canonical SMILES for 2-(oxiran-2-ylmethoxy)-N,N-bis(oxiran-2-ylmethyl)aniline is c1ccc(N(CC2CO2)CC2CO2)c(OCC2CO2)c1.
What is the InChIKey of 2-(oxiran-2-ylmethoxy)-N,N-bis(oxiran-2-ylmethyl)aniline?
The InChIKey is JOYONZOLHMLNGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO4/c1-2-4-15(20-10-13-9-19-13)14(3-1)16(5-11-7-17-11)6-12-8-18-12/h1-4,11-13H,5-10H2.
What are the key properties of 2-(oxiran-2-ylmethoxy)-N,N-bis(oxiran-2-ylmethyl)aniline?
2-(oxiran-2-ylmethoxy)-N,N-bis(oxiran-2-ylmethyl)aniline has a molecular weight of 277.32 g/mol, XLogP of 1.07, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxiran-2-ylmethoxy)-N,N-bis(oxiran-2-ylmethyl)aniline is sourced from PubChem (CID 13388225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).