1,1-bis[4-[bis(2-methoxyethyl)amino]phenyl]ethanol

C26H40N2O5 — CID 118894030

IUPAC1,1-bis[4-[bis(2-methoxyethyl)amino]phenyl]ethanol
SMILESCOCCN(CCOC)c1ccc(C(C)(O)c2ccc(N(CCOC)CCOC)cc2)cc1
InChIInChI=1S/C26H40N2O5/c1-26(29,22-6-10-24(11-7-22)27(14-18-30-2)15-19-31-3)23-8-12-25(13-9-23)28(16-20-32-4)17-21-33-5/h6-13,29H,14-21H2,1-5H3
InChIKeyAWGJIRFDFQTXCT-UHFFFAOYSA-N
MW460.62 g/mol
LogP3.14
Rot. Bonds16

About 1,1-bis[4-[bis(2-methoxyethyl)amino]phenyl]ethanol

1,1-bis[4-[bis(2-methoxyethyl)amino]phenyl]ethanol (PubChem CID 118894030) has the molecular formula C26H40N2O5 and a molecular weight of 460.62 g/mol. Its IUPAC name is 1,1-bis[4-[bis(2-methoxyethyl)amino]phenyl]ethanol.

Molecular Properties

Compound Name1,1-bis[4-[bis(2-methoxyethyl)amino]phenyl]ethanol
PubChem CID118894030
Molecular FormulaC26H40N2O5
Molecular Weight460.62 g/mol
Exact Mass460.29
IUPAC Name1,1-bis[4-[bis(2-methoxyethyl)amino]phenyl]ethanol
SMILESCOCCN(CCOC)c1ccc(C(C)(O)c2ccc(N(CCOC)CCOC)cc2)cc1
InChIInChI=1S/C26H40N2O5/c1-26(29,22-6-10-24(11-7-22)27(14-18-30-2)15-19-31-3)23-8-12-25(13-9-23)28(16-20-32-4)17-21-33-5/h6-13,29H,14-21H2,1-5H3
InChIKeyAWGJIRFDFQTXCT-UHFFFAOYSA-N
XLogP3.14
TPSA63.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds16
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.62
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_F(14)', 'substructure': 'N/A'}

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Related Compounds

(Z)-[[4-[bis(2-methoxyethyl)amino]phenyl]-[4-(trifluoromethyl)phenyl]methylidene]-iminoazanium
CID 162510666
4-ethynyl-N,N-bis(2-methoxyethyl)aniline
CID 102209421
4-[bis(2-methoxyethyl)amino]benzonitrile
CID 60754027
[4-[bis(2-methoxyethyl)amino]phenyl] acetate;ethane
CID 91153786
4-[(1R)-1-aminoethyl]-N,N-bis(2-methoxyethyl)aniline
CID 55189419
3-[4-methoxy-N-(2-methoxyethyl)anilino]propanamide
CID 34740045
2-[N-(2-methoxyethyl)-4-methylanilino]acetic acid
CID 60839571
1-[4-[ethyl(2-methoxyethyl)amino]phenyl]ethanone
CID 61446564
2,4-bis[4-[bis[2-(2-methoxyethoxy)ethyl]amino]phenyl]cyclobuta-1,3-diene-1,3-diol
CID 102029569
4-(1-aminoethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)aniline
CID 54984969
4-(1-aminoethyl)-N-(2-methoxyethyl)-N-(2-methylpropyl)aniline
CID 54987087
N,N-bis[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]aniline
CID 169196905

Frequently Asked Questions

What is the IUPAC name of 1,1-bis[4-[bis(2-methoxyethyl)amino]phenyl]ethanol?
The IUPAC name of 1,1-bis[4-[bis(2-methoxyethyl)amino]phenyl]ethanol (CID 118894030) is 1,1-bis[4-[bis(2-methoxyethyl)amino]phenyl]ethanol.
What is the SMILES notation for 1,1-bis[4-[bis(2-methoxyethyl)amino]phenyl]ethanol?
The canonical SMILES for 1,1-bis[4-[bis(2-methoxyethyl)amino]phenyl]ethanol is COCCN(CCOC)c1ccc(C(C)(O)c2ccc(N(CCOC)CCOC)cc2)cc1.
What is the InChIKey of 1,1-bis[4-[bis(2-methoxyethyl)amino]phenyl]ethanol?
The InChIKey is AWGJIRFDFQTXCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H40N2O5/c1-26(29,22-6-10-24(11-7-22)27(14-18-30-2)15-19-31-3)23-8-12-25(13-9-23)28(16-20-32-4)17-21-33-5/h6-13,29H,14-21H2,1-5H3.
What are the key properties of 1,1-bis[4-[bis(2-methoxyethyl)amino]phenyl]ethanol?
1,1-bis[4-[bis(2-methoxyethyl)amino]phenyl]ethanol has a molecular weight of 460.62 g/mol, XLogP of 3.14, 16 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-bis[4-[bis(2-methoxyethyl)amino]phenyl]ethanol is sourced from PubChem (CID 118894030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).