4-(oxiran-2-ylmethoxy)-N-[4-(oxiran-2-ylmethoxy)phenyl]-N-[[4-(oxiran-2-ylmethoxy)phenyl]methyl]aniline

C28H29NO6 — CID 163586809

IUPAC4-(oxiran-2-ylmethoxy)-N-[4-(oxiran-2-ylmethoxy)phenyl]-N-[[4-(oxiran-2-ylmethoxy)phenyl]methyl]aniline
SMILESc1cc(OCC2CO2)ccc1CN(c1ccc(OCC2CO2)cc1)c1ccc(OCC2CO2)cc1
InChIInChI=1S/C28H29NO6/c1-7-23(30-14-26-17-33-26)8-2-20(1)13-29(21-3-9-24(10-4-21)31-15-27-18-34-27)22-5-11-25(12-6-22)32-16-28-19-35-28/h1-12,26-28H,13-19H2
InChIKeyGMDXVSRDTCGLQX-UHFFFAOYSA-N
MW475.54 g/mol
LogP4.36
Rot. Bonds13

About 4-(oxiran-2-ylmethoxy)-N-[4-(oxiran-2-ylmethoxy)phenyl]-N-[[4-(oxiran-2-ylmethoxy)phenyl]methyl]aniline

4-(oxiran-2-ylmethoxy)-N-[4-(oxiran-2-ylmethoxy)phenyl]-N-[[4-(oxiran-2-ylmethoxy)phenyl]methyl]aniline (PubChem CID 163586809) has the molecular formula C28H29NO6 and a molecular weight of 475.54 g/mol. Its IUPAC name is 4-(oxiran-2-ylmethoxy)-N-[4-(oxiran-2-ylmethoxy)phenyl]-N-[[4-(oxiran-2-ylmethoxy)phenyl]methyl]aniline.

Molecular Properties

Compound Name4-(oxiran-2-ylmethoxy)-N-[4-(oxiran-2-ylmethoxy)phenyl]-N-[[4-(oxiran-2-ylmethoxy)phenyl]methyl]aniline
PubChem CID163586809
Molecular FormulaC28H29NO6
Molecular Weight475.54 g/mol
Exact Mass475.20
IUPAC Name4-(oxiran-2-ylmethoxy)-N-[4-(oxiran-2-ylmethoxy)phenyl]-N-[[4-(oxiran-2-ylmethoxy)phenyl]methyl]aniline
SMILESc1cc(OCC2CO2)ccc1CN(c1ccc(OCC2CO2)cc1)c1ccc(OCC2CO2)cc1
InChIInChI=1S/C28H29NO6/c1-7-23(30-14-26-17-33-26)8-2-20(1)13-29(21-3-9-24(10-4-21)31-15-27-18-34-27)22-5-11-25(12-6-22)32-16-28-19-35-28/h1-12,26-28H,13-19H2
InChIKeyGMDXVSRDTCGLQX-UHFFFAOYSA-N
XLogP4.36
TPSA68.52 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds13
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.54
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 4-(oxiran-2-ylmethoxy)-N-[4-(oxiran-2-ylmethoxy)phenyl]-N-[[4-(oxiran-2-ylmethoxy)phenyl]methyl]aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-[[4-[[(2S)-oxiran-2-yl]methoxy]phenoxy]methyl]oxirane
CID 677176
CID 59015330
CID 59015330
2-[[4-(oxiran-2-ylmethoxymethyl)phenoxy]methyl]oxirane
CID 86030430
2-[[4-[4-(oxiran-2-ylmethoxy)phenyl]sulfanyloxysulfanylphenoxy]methyl]oxirane
CID 21248194
ethane;2-[(4-ethylphenoxy)methyl]oxirane
CID 156746927
2-[4-(oxiran-2-ylmethoxy)phenyl]ethyl-tritritiosilane
CID 140880612
3-[[4-[4-(oxiran-2-ylmethoxy)phenyl]phenyl]methyl]dioxetane
CID 21044101
2-[2-(oxiran-2-ylmethoxy)ethoxymethyl]oxirane;2-[[4-(oxiran-2-ylmethoxy)phenoxy]methyl]oxirane
CID 146313445
bis[4-(oxiran-2-ylmethoxy)phenyl]diazene
CID 4055525
2-[[4-[[3-[[4-(oxiran-2-ylmethoxy)phenyl]methyl]phenyl]methyl]phenoxy]methyl]oxirane
CID 134221521
methane;4-(oxiran-2-ylmethoxy)phenol
CID 159818409
ethoxyethane;4-(oxiran-2-ylmethoxy)-N,N-bis(oxiran-2-ylmethyl)aniline
CID 87178534

Frequently Asked Questions

What is the IUPAC name of 4-(oxiran-2-ylmethoxy)-N-[4-(oxiran-2-ylmethoxy)phenyl]-N-[[4-(oxiran-2-ylmethoxy)phenyl]methyl]aniline?
The IUPAC name of 4-(oxiran-2-ylmethoxy)-N-[4-(oxiran-2-ylmethoxy)phenyl]-N-[[4-(oxiran-2-ylmethoxy)phenyl]methyl]aniline (CID 163586809) is 4-(oxiran-2-ylmethoxy)-N-[4-(oxiran-2-ylmethoxy)phenyl]-N-[[4-(oxiran-2-ylmethoxy)phenyl]methyl]aniline.
What is the SMILES notation for 4-(oxiran-2-ylmethoxy)-N-[4-(oxiran-2-ylmethoxy)phenyl]-N-[[4-(oxiran-2-ylmethoxy)phenyl]methyl]aniline?
The canonical SMILES for 4-(oxiran-2-ylmethoxy)-N-[4-(oxiran-2-ylmethoxy)phenyl]-N-[[4-(oxiran-2-ylmethoxy)phenyl]methyl]aniline is c1cc(OCC2CO2)ccc1CN(c1ccc(OCC2CO2)cc1)c1ccc(OCC2CO2)cc1.
What is the InChIKey of 4-(oxiran-2-ylmethoxy)-N-[4-(oxiran-2-ylmethoxy)phenyl]-N-[[4-(oxiran-2-ylmethoxy)phenyl]methyl]aniline?
The InChIKey is GMDXVSRDTCGLQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29NO6/c1-7-23(30-14-26-17-33-26)8-2-20(1)13-29(21-3-9-24(10-4-21)31-15-27-18-34-27)22-5-11-25(12-6-22)32-16-28-19-35-28/h1-12,26-28H,13-19H2.
What are the key properties of 4-(oxiran-2-ylmethoxy)-N-[4-(oxiran-2-ylmethoxy)phenyl]-N-[[4-(oxiran-2-ylmethoxy)phenyl]methyl]aniline?
4-(oxiran-2-ylmethoxy)-N-[4-(oxiran-2-ylmethoxy)phenyl]-N-[[4-(oxiran-2-ylmethoxy)phenyl]methyl]aniline has a molecular weight of 475.54 g/mol, XLogP of 4.36, 13 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(oxiran-2-ylmethoxy)-N-[4-(oxiran-2-ylmethoxy)phenyl]-N-[[4-(oxiran-2-ylmethoxy)phenyl]methyl]aniline is sourced from PubChem (CID 163586809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).