ethoxyethane;4-(oxiran-2-ylmethoxy)-N,N-bis(oxiran-2-ylmethyl)aniline

C19H29NO5 — CID 87178534

IUPACethoxyethane;4-(oxiran-2-ylmethoxy)-N,N-bis(oxiran-2-ylmethyl)aniline
SMILESCCOCC.c1cc(N(CC2CO2)CC2CO2)ccc1OCC1CO1
InChIInChI=1S/C15H19NO4.C4H10O/c1-3-12(17-9-15-10-20-15)4-2-11(1)16(5-13-7-18-13)6-14-8-19-14;1-3-5-4-2/h1-4,13-15H,5-10H2;3-4H2,1-2H3
InChIKeyLPGYREFPMAAZMN-UHFFFAOYSA-N
MW351.44 g/mol
LogP2.11
Rot. Bonds10

About ethoxyethane;4-(oxiran-2-ylmethoxy)-N,N-bis(oxiran-2-ylmethyl)aniline

ethoxyethane;4-(oxiran-2-ylmethoxy)-N,N-bis(oxiran-2-ylmethyl)aniline (PubChem CID 87178534) has the molecular formula C19H29NO5 and a molecular weight of 351.44 g/mol. Its IUPAC name is ethoxyethane;4-(oxiran-2-ylmethoxy)-N,N-bis(oxiran-2-ylmethyl)aniline.

Molecular Properties

Compound Nameethoxyethane;4-(oxiran-2-ylmethoxy)-N,N-bis(oxiran-2-ylmethyl)aniline
PubChem CID87178534
Molecular FormulaC19H29NO5
Molecular Weight351.44 g/mol
Exact Mass351.20
IUPAC Nameethoxyethane;4-(oxiran-2-ylmethoxy)-N,N-bis(oxiran-2-ylmethyl)aniline
SMILESCCOCC.c1cc(N(CC2CO2)CC2CO2)ccc1OCC1CO1
InChIInChI=1S/C15H19NO4.C4H10O/c1-3-12(17-9-15-10-20-15)4-2-11(1)16(5-13-7-18-13)6-14-8-19-14;1-3-5-4-2/h1-4,13-15H,5-10H2;3-4H2,1-2H3
InChIKeyLPGYREFPMAAZMN-UHFFFAOYSA-N
XLogP2.11
TPSA59.29 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.44
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

ethoxyethane;2-[[4-[4-(oxiran-2-ylmethoxy)phenyl]phenoxy]methyl]oxirane
CID 88710834
(2S)-2-[[4-(2-ethoxyethoxy)phenoxy]methyl]oxirane
CID 11075490
1-[4-(oxiran-2-ylmethoxy)-N-(oxiran-2-ylmethyl)anilino]propan-2-ol
CID 143370332
4-ethoxy-N-ethyl-N-(oxiran-2-ylmethyl)aniline;methane
CID 160587423
(2S)-2-[[4-[[(2S)-oxiran-2-yl]methoxy]phenoxy]methyl]oxirane
CID 677176
2-[2-(oxiran-2-ylmethoxy)ethoxymethyl]oxirane;2-[[4-(oxiran-2-ylmethoxy)phenoxy]methyl]oxirane
CID 146313445
2-methyl-4-(oxiran-2-ylmethoxy)-N,N-bis(oxiran-2-ylmethyl)aniline
CID 18475217
2-[[4-[4-(ethoxymethoxy)phenyl]sulfanylphenoxy]methyl]oxirane
CID 137484879
3-ethyl-4-(oxiran-2-ylmethoxy)-N,N-bis(oxiran-2-ylmethyl)aniline
CID 162364645
2-[(4-methylphenoxy)methyl]oxirane;propane
CID 90972730
2-[[4-(2-methoxyethoxymethoxy)phenoxy]methyl]oxirane
CID 74928009
4-(oxiran-2-ylmethoxy)-N-[4-(oxiran-2-ylmethoxy)phenyl]-N-[[4-(oxiran-2-ylmethoxy)phenyl]methyl]aniline
CID 163586809

Frequently Asked Questions

What is the IUPAC name of ethoxyethane;4-(oxiran-2-ylmethoxy)-N,N-bis(oxiran-2-ylmethyl)aniline?
The IUPAC name of ethoxyethane;4-(oxiran-2-ylmethoxy)-N,N-bis(oxiran-2-ylmethyl)aniline (CID 87178534) is ethoxyethane;4-(oxiran-2-ylmethoxy)-N,N-bis(oxiran-2-ylmethyl)aniline.
What is the SMILES notation for ethoxyethane;4-(oxiran-2-ylmethoxy)-N,N-bis(oxiran-2-ylmethyl)aniline?
The canonical SMILES for ethoxyethane;4-(oxiran-2-ylmethoxy)-N,N-bis(oxiran-2-ylmethyl)aniline is CCOCC.c1cc(N(CC2CO2)CC2CO2)ccc1OCC1CO1.
What is the InChIKey of ethoxyethane;4-(oxiran-2-ylmethoxy)-N,N-bis(oxiran-2-ylmethyl)aniline?
The InChIKey is LPGYREFPMAAZMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO4.C4H10O/c1-3-12(17-9-15-10-20-15)4-2-11(1)16(5-13-7-18-13)6-14-8-19-14;1-3-5-4-2/h1-4,13-15H,5-10H2;3-4H2,1-2H3.
What are the key properties of ethoxyethane;4-(oxiran-2-ylmethoxy)-N,N-bis(oxiran-2-ylmethyl)aniline?
ethoxyethane;4-(oxiran-2-ylmethoxy)-N,N-bis(oxiran-2-ylmethyl)aniline has a molecular weight of 351.44 g/mol, XLogP of 2.11, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxyethane;4-(oxiran-2-ylmethoxy)-N,N-bis(oxiran-2-ylmethyl)aniline is sourced from PubChem (CID 87178534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).