1,2-bis[4-(2-methoxyethoxy)phenyl]ethane-1,2-diamine

C20H28N2O4 — CID 101255138

IUPAC1,2-bis[4-(2-methoxyethoxy)phenyl]ethane-1,2-diamine
SMILESCOCCOc1ccc(C(N)C(N)c2ccc(OCCOC)cc2)cc1
InChIInChI=1S/C20H28N2O4/c1-23-11-13-25-17-7-3-15(4-8-17)19(21)20(22)16-5-9-18(10-6-16)26-14-12-24-2/h3-10,19-20H,11-14,21-22H2,1-2H3
InChIKeyVBSPDDMAFMRFRE-UHFFFAOYSA-N
MW360.45 g/mol
LogP2.44
Rot. Bonds11

About 1,2-bis[4-(2-methoxyethoxy)phenyl]ethane-1,2-diamine

1,2-bis[4-(2-methoxyethoxy)phenyl]ethane-1,2-diamine (PubChem CID 101255138) has the molecular formula C20H28N2O4 and a molecular weight of 360.45 g/mol. Its IUPAC name is 1,2-bis[4-(2-methoxyethoxy)phenyl]ethane-1,2-diamine.

Molecular Properties

Compound Name1,2-bis[4-(2-methoxyethoxy)phenyl]ethane-1,2-diamine
PubChem CID101255138
Molecular FormulaC20H28N2O4
Molecular Weight360.45 g/mol
Exact Mass360.20
IUPAC Name1,2-bis[4-(2-methoxyethoxy)phenyl]ethane-1,2-diamine
SMILESCOCCOc1ccc(C(N)C(N)c2ccc(OCCOC)cc2)cc1
InChIInChI=1S/C20H28N2O4/c1-23-11-13-25-17-7-3-15(4-8-17)19(21)20(22)16-5-9-18(10-6-16)26-14-12-24-2/h3-10,19-20H,11-14,21-22H2,1-2H3
InChIKeyVBSPDDMAFMRFRE-UHFFFAOYSA-N
XLogP2.44
TPSA88.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.45
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-amino-2-[4-(2-methoxyethoxy)phenyl]acetic acid
CID 77128718
methyl 2-hydroxy-2-[4-(2-methoxyethoxy)phenyl]acetate
CID 117353011
[4-[2-(2-methoxyethoxy)ethoxy]phenyl]methanedithiol
CID 59102227
(1R)-1-[4-[3-(2-methoxyethoxy)propoxy]phenyl]ethanamine
CID 103402999
(1R)-1-[4-[2-(4-methoxyphenoxy)ethoxy]phenyl]ethanamine
CID 79009249
1-but-3-en-2-yl-4-(2-methoxyethoxy)benzene
CID 57090148
1-(1-iodoethyl)-4-[2-(2-methoxyethoxy)ethoxy]benzene
CID 89292471
2-[4-(2-methoxyethoxy)phenyl]propanoic acid
CID 112512140
(1S)-1-[4-[2-(3-methoxypropoxy)ethoxy]phenyl]propan-1-amine
CID 103177829
methoxy-[4-[4-(2-methoxyethoxy)phenyl]phenyl]methanol
CID 134401499
2-chloro-2-[4-(2-methoxyethoxy)phenyl]acetic acid
CID 112512422
(1R,2R)-1,2-bis[4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-N,N'-dimethylethane-1,2-diamine
CID 101191094

Frequently Asked Questions

What is the IUPAC name of 1,2-bis[4-(2-methoxyethoxy)phenyl]ethane-1,2-diamine?
The IUPAC name of 1,2-bis[4-(2-methoxyethoxy)phenyl]ethane-1,2-diamine (CID 101255138) is 1,2-bis[4-(2-methoxyethoxy)phenyl]ethane-1,2-diamine.
What is the SMILES notation for 1,2-bis[4-(2-methoxyethoxy)phenyl]ethane-1,2-diamine?
The canonical SMILES for 1,2-bis[4-(2-methoxyethoxy)phenyl]ethane-1,2-diamine is COCCOc1ccc(C(N)C(N)c2ccc(OCCOC)cc2)cc1.
What is the InChIKey of 1,2-bis[4-(2-methoxyethoxy)phenyl]ethane-1,2-diamine?
The InChIKey is VBSPDDMAFMRFRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O4/c1-23-11-13-25-17-7-3-15(4-8-17)19(21)20(22)16-5-9-18(10-6-16)26-14-12-24-2/h3-10,19-20H,11-14,21-22H2,1-2H3.
What are the key properties of 1,2-bis[4-(2-methoxyethoxy)phenyl]ethane-1,2-diamine?
1,2-bis[4-(2-methoxyethoxy)phenyl]ethane-1,2-diamine has a molecular weight of 360.45 g/mol, XLogP of 2.44, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis[4-(2-methoxyethoxy)phenyl]ethane-1,2-diamine is sourced from PubChem (CID 101255138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).