(1R,2R)-1,2-bis[4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-N,N'-dimethylethane-1,2-diamine

C30H48N2O8 — CID 101191094

IUPAC(1R,2R)-1,2-bis[4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-N,N'-dimethylethane-1,2-diamine
SMILESCN[C@H](c1ccc(OCCOCCOCCOC)cc1)[C@H](NC)c1ccc(OCCOCCOCCOC)cc1
InChIInChI=1S/C30H48N2O8/c1-31-29(25-5-9-27(10-6-25)39-23-21-37-19-17-35-15-13-33-3)30(32-2)26-7-11-28(12-8-26)40-24-22-38-20-18-36-16-14-34-4/h5-12,29-32H,13-24H2,1-4H3/t29-,30-/m1/s1
InChIKeyOGLXYQTWLJQWNO-LOYHVIPDSA-N
MW564.72 g/mol
LogP3.02
Rot. Bonds25

About (1R,2R)-1,2-bis[4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-N,N'-dimethylethane-1,2-diamine

(1R,2R)-1,2-bis[4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-N,N'-dimethylethane-1,2-diamine (PubChem CID 101191094) has the molecular formula C30H48N2O8 and a molecular weight of 564.72 g/mol. Its IUPAC name is (1R,2R)-1,2-bis[4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-N,N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound Name(1R,2R)-1,2-bis[4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-N,N'-dimethylethane-1,2-diamine
PubChem CID101191094
Molecular FormulaC30H48N2O8
Molecular Weight564.72 g/mol
Exact Mass564.34
IUPAC Name(1R,2R)-1,2-bis[4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-N,N'-dimethylethane-1,2-diamine
SMILESCN[C@H](c1ccc(OCCOCCOCCOC)cc1)[C@H](NC)c1ccc(OCCOCCOCCOC)cc1
InChIInChI=1S/C30H48N2O8/c1-31-29(25-5-9-27(10-6-25)39-23-21-37-19-17-35-15-13-33-3)30(32-2)26-7-11-28(12-8-26)40-24-22-38-20-18-36-16-14-34-4/h5-12,29-32H,13-24H2,1-4H3/t29-,30-/m1/s1
InChIKeyOGLXYQTWLJQWNO-LOYHVIPDSA-N
XLogP3.02
TPSA97.90 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds25
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500564.72
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze (1R,2R)-1,2-bis[4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-N,N'-dimethylethane-1,2-diamine 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

[4-[2-(2-methoxyethoxy)ethoxy]phenyl]methanedithiol
CID 59102227
1-(1-iodoethyl)-4-[2-(2-methoxyethoxy)ethoxy]benzene
CID 89292471
1-(4-ethoxyphenyl)-3-(2-methoxyethoxy)-N-methylpropan-1-amine
CID 102928029
1,2-bis[4-(2-methoxyethoxy)phenyl]ethane-1,2-diamine
CID 101255138
methyl 4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzoate
CID 104560522
(1R)-1-[4-[3-(2-methoxyethoxy)propoxy]phenyl]ethanamine
CID 103402999
1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-4-[1,2,2-tris[4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]ethenyl]benzene
CID 102529965
N-methyl-1-[4-(2-propoxyethoxy)phenyl]propan-1-amine
CID 106449842
ethane;2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxybenzene
CID 154643071
4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]benzonitrile
CID 177395107
4-[2-(2-methoxyethoxy)ethoxy]benzonitrile
CID 43289507
methyl 2-hydroxy-2-[4-(2-methoxyethoxy)phenyl]acetate
CID 117353011

Frequently Asked Questions

What is the IUPAC name of (1R,2R)-1,2-bis[4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-N,N'-dimethylethane-1,2-diamine?
The IUPAC name of (1R,2R)-1,2-bis[4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-N,N'-dimethylethane-1,2-diamine (CID 101191094) is (1R,2R)-1,2-bis[4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-N,N'-dimethylethane-1,2-diamine.
What is the SMILES notation for (1R,2R)-1,2-bis[4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-N,N'-dimethylethane-1,2-diamine?
The canonical SMILES for (1R,2R)-1,2-bis[4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-N,N'-dimethylethane-1,2-diamine is CN[C@H](c1ccc(OCCOCCOCCOC)cc1)[C@H](NC)c1ccc(OCCOCCOCCOC)cc1.
What is the InChIKey of (1R,2R)-1,2-bis[4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-N,N'-dimethylethane-1,2-diamine?
The InChIKey is OGLXYQTWLJQWNO-LOYHVIPDSA-N. The full InChI is InChI=1S/C30H48N2O8/c1-31-29(25-5-9-27(10-6-25)39-23-21-37-19-17-35-15-13-33-3)30(32-2)26-7-11-28(12-8-26)40-24-22-38-20-18-36-16-14-34-4/h5-12,29-32H,13-24H2,1-4H3/t29-,30-/m1/s1.
What are the key properties of (1R,2R)-1,2-bis[4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-N,N'-dimethylethane-1,2-diamine?
(1R,2R)-1,2-bis[4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-N,N'-dimethylethane-1,2-diamine has a molecular weight of 564.72 g/mol, XLogP of 3.02, 25 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R)-1,2-bis[4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-N,N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 101191094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).