2-[2-[bis[2-[bis[2-(2-hydroxyethoxy)-2-phenylethyl]amino]ethyl]amino]-1-phenylethoxy]ethanol

C54H73N3O10 — CID 59475402

IUPAC2-[2-[bis[2-[bis[2-(2-hydroxyethoxy)-2-phenylethyl]amino]ethyl]amino]-1-phenylethoxy]ethanol
SMILESOCCOC(CN(CCN(CC(OCCO)c1ccccc1)CC(OCCO)c1ccccc1)CCN(CC(OCCO)c1ccccc1)CC(OCCO)c1ccccc1)c1ccccc1
InChIInChI=1S/C54H73N3O10/c58-30-35-63-50(45-16-6-1-7-17-45)40-55(26-28-56(41-51(64-36-31-59)46-18-8-2-9-19-46)42-52(65-37-32-60)47-20-10-3-11-21-47)27-29-57(43-53(66-38-33-61)48-22-12-4-13-23-48)44-54(67-39-34-62)49-24-14-5-15-25-49/h1-25,50-54,58-62H,26-44H2
InChIKeySXUJMXYQJGJBEW-UHFFFAOYSA-N
MW924.19 g/mol
LogP5.64
Rot. Bonds36

About 2-[2-[bis[2-[bis[2-(2-hydroxyethoxy)-2-phenylethyl]amino]ethyl]amino]-1-phenylethoxy]ethanol

2-[2-[bis[2-[bis[2-(2-hydroxyethoxy)-2-phenylethyl]amino]ethyl]amino]-1-phenylethoxy]ethanol (PubChem CID 59475402) has the molecular formula C54H73N3O10 and a molecular weight of 924.19 g/mol. Its IUPAC name is 2-[2-[bis[2-[bis[2-(2-hydroxyethoxy)-2-phenylethyl]amino]ethyl]amino]-1-phenylethoxy]ethanol.

Molecular Properties

Compound Name2-[2-[bis[2-[bis[2-(2-hydroxyethoxy)-2-phenylethyl]amino]ethyl]amino]-1-phenylethoxy]ethanol
PubChem CID59475402
Molecular FormulaC54H73N3O10
Molecular Weight924.19 g/mol
Exact Mass923.53
IUPAC Name2-[2-[bis[2-[bis[2-(2-hydroxyethoxy)-2-phenylethyl]amino]ethyl]amino]-1-phenylethoxy]ethanol
SMILESOCCOC(CN(CCN(CC(OCCO)c1ccccc1)CC(OCCO)c1ccccc1)CCN(CC(OCCO)c1ccccc1)CC(OCCO)c1ccccc1)c1ccccc1
InChIInChI=1S/C54H73N3O10/c58-30-35-63-50(45-16-6-1-7-17-45)40-55(26-28-56(41-51(64-36-31-59)46-18-8-2-9-19-46)42-52(65-37-32-60)47-20-10-3-11-21-47)27-29-57(43-53(66-38-33-61)48-22-12-4-13-23-48)44-54(67-39-34-62)49-24-14-5-15-25-49/h1-25,50-54,58-62H,26-44H2
InChIKeySXUJMXYQJGJBEW-UHFFFAOYSA-N
XLogP5.64
TPSA157.02 Ų
H-Bond Donors5
H-Bond Acceptors13
Rotatable Bonds36
Heavy Atoms67
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500924.19
LogP ≤ 55.64
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1013

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Related Compounds

2-[(1S)-2-iodo-1-phenylethoxy]ethanol
CID 125483394
2-[(2-chloro-2-phenylethyl)-(2-hydroxyethyl)amino]ethanol
CID 82214215
N-[2-(2-hydroxyethoxy)-2-phenylethyl]-N-[(2-methylpropan-2-yl)oxy]formamide
CID 87852483
N-(2-methoxy-2-phenylethyl)-N-propylpropan-1-amine
CID 3057528
2-[2-[tert-butyl(dimethyl)silyl]oxy-1-phenylethoxy]ethanol
CID 59001710
2-[2-[2-(1-phenylbutoxy)ethoxy]ethoxy]ethanol
CID 139655568
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-phenylethoxy]-2-phenylethoxy]-2-phenylethoxy]-2-phenylethoxy]-2-[2-(2-hydroxyethoxy)-2-phenylethoxy]propoxy]-1-phenylethoxy]-1-phenylethoxy]-1-phenylethoxy]-1-phenylethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 164935779
[2-bromo-1-(2-bromoethoxy)ethyl]benzene
CID 13011074
2-(3-ethyl-1-phenylnonoxy)ethanol
CID 12997328
2-[(3-amino-2-phenylpropyl)-(2-hydroxyethyl)amino]ethanol
CID 61242461
(2R,3S)-3-(2-hydroxyethoxy)-2-iodo-3-phenylpropan-1-ol
CID 51051061
3-[butyl(2-hydroxyethyl)amino]-2-phenylpropanenitrile
CID 64537660

Frequently Asked Questions

What is the IUPAC name of 2-[2-[bis[2-[bis[2-(2-hydroxyethoxy)-2-phenylethyl]amino]ethyl]amino]-1-phenylethoxy]ethanol?
The IUPAC name of 2-[2-[bis[2-[bis[2-(2-hydroxyethoxy)-2-phenylethyl]amino]ethyl]amino]-1-phenylethoxy]ethanol (CID 59475402) is 2-[2-[bis[2-[bis[2-(2-hydroxyethoxy)-2-phenylethyl]amino]ethyl]amino]-1-phenylethoxy]ethanol.
What is the SMILES notation for 2-[2-[bis[2-[bis[2-(2-hydroxyethoxy)-2-phenylethyl]amino]ethyl]amino]-1-phenylethoxy]ethanol?
The canonical SMILES for 2-[2-[bis[2-[bis[2-(2-hydroxyethoxy)-2-phenylethyl]amino]ethyl]amino]-1-phenylethoxy]ethanol is OCCOC(CN(CCN(CC(OCCO)c1ccccc1)CC(OCCO)c1ccccc1)CCN(CC(OCCO)c1ccccc1)CC(OCCO)c1ccccc1)c1ccccc1.
What is the InChIKey of 2-[2-[bis[2-[bis[2-(2-hydroxyethoxy)-2-phenylethyl]amino]ethyl]amino]-1-phenylethoxy]ethanol?
The InChIKey is SXUJMXYQJGJBEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H73N3O10/c58-30-35-63-50(45-16-6-1-7-17-45)40-55(26-28-56(41-51(64-36-31-59)46-18-8-2-9-19-46)42-52(65-37-32-60)47-20-10-3-11-21-47)27-29-57(43-53(66-38-33-61)48-22-12-4-13-23-48)44-54(67-39-34-62)49-24-14-5-15-25-49/h1-25,50-54,58-62H,26-44H2.
What are the key properties of 2-[2-[bis[2-[bis[2-(2-hydroxyethoxy)-2-phenylethyl]amino]ethyl]amino]-1-phenylethoxy]ethanol?
2-[2-[bis[2-[bis[2-(2-hydroxyethoxy)-2-phenylethyl]amino]ethyl]amino]-1-phenylethoxy]ethanol has a molecular weight of 924.19 g/mol, XLogP of 5.64, 36 rotatable bonds, 5 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[bis[2-[bis[2-(2-hydroxyethoxy)-2-phenylethyl]amino]ethyl]amino]-1-phenylethoxy]ethanol is sourced from PubChem (CID 59475402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).