2,3,4,5-tetrakis(oxiran-2-ylmethyl)aniline

C18H23NO4 — CID 23190231

IUPAC2,3,4,5-tetrakis(oxiran-2-ylmethyl)aniline
SMILESNc1cc(CC2CO2)c(CC2CO2)c(CC2CO2)c1CC1CO1
InChIInChI=1S/C18H23NO4/c19-18-2-10(1-11-6-20-11)15(3-12-7-21-12)16(4-13-8-22-13)17(18)5-14-9-23-14/h2,11-14H,1,3-9,19H2
InChIKeyFFMGMWXHWFEDTP-UHFFFAOYSA-N
MW317.39 g/mol
LogP1.03
Rot. Bonds8

About 2,3,4,5-tetrakis(oxiran-2-ylmethyl)aniline

2,3,4,5-tetrakis(oxiran-2-ylmethyl)aniline (PubChem CID 23190231) has the molecular formula C18H23NO4 and a molecular weight of 317.39 g/mol. Its IUPAC name is 2,3,4,5-tetrakis(oxiran-2-ylmethyl)aniline.

Molecular Properties

Compound Name2,3,4,5-tetrakis(oxiran-2-ylmethyl)aniline
PubChem CID23190231
Molecular FormulaC18H23NO4
Molecular Weight317.39 g/mol
Exact Mass317.16
IUPAC Name2,3,4,5-tetrakis(oxiran-2-ylmethyl)aniline
SMILESNc1cc(CC2CO2)c(CC2CO2)c(CC2CO2)c1CC1CO1
InChIInChI=1S/C18H23NO4/c19-18-2-10(1-11-6-20-11)15(3-12-7-21-12)16(4-13-8-22-13)17(18)5-14-9-23-14/h2,11-14H,1,3-9,19H2
InChIKeyFFMGMWXHWFEDTP-UHFFFAOYSA-N
XLogP1.03
TPSA76.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,3,4,5-tetrakis(oxiran-2-ylmethyl)aniline?
The IUPAC name of 2,3,4,5-tetrakis(oxiran-2-ylmethyl)aniline (CID 23190231) is 2,3,4,5-tetrakis(oxiran-2-ylmethyl)aniline.
What is the SMILES notation for 2,3,4,5-tetrakis(oxiran-2-ylmethyl)aniline?
The canonical SMILES for 2,3,4,5-tetrakis(oxiran-2-ylmethyl)aniline is Nc1cc(CC2CO2)c(CC2CO2)c(CC2CO2)c1CC1CO1.
What is the InChIKey of 2,3,4,5-tetrakis(oxiran-2-ylmethyl)aniline?
The InChIKey is FFMGMWXHWFEDTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO4/c19-18-2-10(1-11-6-20-11)15(3-12-7-21-12)16(4-13-8-22-13)17(18)5-14-9-23-14/h2,11-14H,1,3-9,19H2.
What are the key properties of 2,3,4,5-tetrakis(oxiran-2-ylmethyl)aniline?
2,3,4,5-tetrakis(oxiran-2-ylmethyl)aniline has a molecular weight of 317.39 g/mol, XLogP of 1.03, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5-tetrakis(oxiran-2-ylmethyl)aniline is sourced from PubChem (CID 23190231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).