2-[2-[2-[4-[4-[2-[2-(2-hydroxyethoxy)ethoxy]ethylamino]phenyl]anilino]ethoxy]ethoxy]ethanol

C24H36N2O6 — CID 10433809

IUPAC2-[2-[2-[4-[4-[2-[2-(2-hydroxyethoxy)ethoxy]ethylamino]phenyl]anilino]ethoxy]ethoxy]ethanol
SMILESOCCOCCOCCNc1ccc(-c2ccc(NCCOCCOCCO)cc2)cc1
InChIInChI=1S/C24H36N2O6/c27-11-15-31-19-17-29-13-9-25-23-5-1-21(2-6-23)22-3-7-24(8-4-22)26-10-14-30-18-20-32-16-12-28/h1-8,25-28H,9-20H2
InChIKeyBNSLGWBIZOGRLV-UHFFFAOYSA-N
MW448.56 g/mol
LogP2.23
Rot. Bonds19

About 2-[2-[2-[4-[4-[2-[2-(2-hydroxyethoxy)ethoxy]ethylamino]phenyl]anilino]ethoxy]ethoxy]ethanol

2-[2-[2-[4-[4-[2-[2-(2-hydroxyethoxy)ethoxy]ethylamino]phenyl]anilino]ethoxy]ethoxy]ethanol (PubChem CID 10433809) has the molecular formula C24H36N2O6 and a molecular weight of 448.56 g/mol. Its IUPAC name is 2-[2-[2-[4-[4-[2-[2-(2-hydroxyethoxy)ethoxy]ethylamino]phenyl]anilino]ethoxy]ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-[2-[4-[4-[2-[2-(2-hydroxyethoxy)ethoxy]ethylamino]phenyl]anilino]ethoxy]ethoxy]ethanol
PubChem CID10433809
Molecular FormulaC24H36N2O6
Molecular Weight448.56 g/mol
Exact Mass448.26
IUPAC Name2-[2-[2-[4-[4-[2-[2-(2-hydroxyethoxy)ethoxy]ethylamino]phenyl]anilino]ethoxy]ethoxy]ethanol
SMILESOCCOCCOCCNc1ccc(-c2ccc(NCCOCCOCCO)cc2)cc1
InChIInChI=1S/C24H36N2O6/c27-11-15-31-19-17-29-13-9-25-23-5-1-21(2-6-23)22-3-7-24(8-4-22)26-10-14-30-18-20-32-16-12-28/h1-8,25-28H,9-20H2
InChIKeyBNSLGWBIZOGRLV-UHFFFAOYSA-N
XLogP2.23
TPSA101.44 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds19
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.56
LogP ≤ 52.23
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[2-[2-[2-(4-aminoanilino)ethoxy]ethoxy]ethoxy]ethanol
CID 150016700
4-[2-(2-hydroxyethoxy)ethylamino]-N,N-dimethylbenzenesulfonamide
CID 62498471
N-[2-(2-ethoxyethoxy)ethyl]-4-methylaniline
CID 23009145
2-chloro-4-[2-(2-hydroxyethoxy)ethylamino]benzonitrile
CID 61070703
N-(2-but-3-enoxyethyl)-4-methylaniline
CID 62599565
2-[2-[2-[2-[2-[4-[(5-chloro-1,3-thiazol-2-yl)diazenyl]anilino]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 166509657
4-(2-propoxyethylamino)phenol
CID 162495053
4-bromo-N-(2-propoxyethyl)aniline
CID 62582650
4-[3-(2-hydroxyethoxy)propylamino]benzenesulfonamide
CID 106306869
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[4-[(4-chlorophenyl)-[4-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylimino]cyclohexa-2,5-dien-1-ylidene]methyl]anilino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 25053869
4-bromo-N-[2-(3-methylbut-3-enoxy)ethyl]aniline
CID 114470913
2-[2-(2,4,5-trifluoroanilino)ethoxy]ethanol
CID 62815209

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[4-[4-[2-[2-(2-hydroxyethoxy)ethoxy]ethylamino]phenyl]anilino]ethoxy]ethoxy]ethanol?
The IUPAC name of 2-[2-[2-[4-[4-[2-[2-(2-hydroxyethoxy)ethoxy]ethylamino]phenyl]anilino]ethoxy]ethoxy]ethanol (CID 10433809) is 2-[2-[2-[4-[4-[2-[2-(2-hydroxyethoxy)ethoxy]ethylamino]phenyl]anilino]ethoxy]ethoxy]ethanol.
What is the SMILES notation for 2-[2-[2-[4-[4-[2-[2-(2-hydroxyethoxy)ethoxy]ethylamino]phenyl]anilino]ethoxy]ethoxy]ethanol?
The canonical SMILES for 2-[2-[2-[4-[4-[2-[2-(2-hydroxyethoxy)ethoxy]ethylamino]phenyl]anilino]ethoxy]ethoxy]ethanol is OCCOCCOCCNc1ccc(-c2ccc(NCCOCCOCCO)cc2)cc1.
What is the InChIKey of 2-[2-[2-[4-[4-[2-[2-(2-hydroxyethoxy)ethoxy]ethylamino]phenyl]anilino]ethoxy]ethoxy]ethanol?
The InChIKey is BNSLGWBIZOGRLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36N2O6/c27-11-15-31-19-17-29-13-9-25-23-5-1-21(2-6-23)22-3-7-24(8-4-22)26-10-14-30-18-20-32-16-12-28/h1-8,25-28H,9-20H2.
What are the key properties of 2-[2-[2-[4-[4-[2-[2-(2-hydroxyethoxy)ethoxy]ethylamino]phenyl]anilino]ethoxy]ethoxy]ethanol?
2-[2-[2-[4-[4-[2-[2-(2-hydroxyethoxy)ethoxy]ethylamino]phenyl]anilino]ethoxy]ethoxy]ethanol has a molecular weight of 448.56 g/mol, XLogP of 2.23, 19 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[4-[4-[2-[2-(2-hydroxyethoxy)ethoxy]ethylamino]phenyl]anilino]ethoxy]ethoxy]ethanol is sourced from PubChem (CID 10433809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).