1,2-bis(4-methoxyphenyl)ethane-1,2-diamine

C16H20N2O2 — CID 585976

IUPAC1,2-bis(4-methoxyphenyl)ethane-1,2-diamine
SMILESCOc1ccc(C(N)C(N)c2ccc(OC)cc2)cc1
InChIInChI=1S/C16H20N2O2/c1-19-13-7-3-11(4-8-13)15(17)16(18)12-5-9-14(20-2)10-6-12/h3-10,15-16H,17-18H2,1-2H3
InChIKeyZWMPRHYHRAUVGY-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.40
Rot. Bonds5

About 1,2-bis(4-methoxyphenyl)ethane-1,2-diamine

1,2-bis(4-methoxyphenyl)ethane-1,2-diamine (PubChem CID 585976) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 1,2-bis(4-methoxyphenyl)ethane-1,2-diamine.

Molecular Properties

Compound Name1,2-bis(4-methoxyphenyl)ethane-1,2-diamine
PubChem CID585976
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name1,2-bis(4-methoxyphenyl)ethane-1,2-diamine
SMILESCOc1ccc(C(N)C(N)c2ccc(OC)cc2)cc1
InChIInChI=1S/C16H20N2O2/c1-19-13-7-3-11(4-8-13)15(17)16(18)12-5-9-14(20-2)10-6-12/h3-10,15-16H,17-18H2,1-2H3
InChIKeyZWMPRHYHRAUVGY-UHFFFAOYSA-N
XLogP2.40
TPSA70.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,2-bis(4-methoxyphenyl)ethane-1,2-diamine?
The IUPAC name of 1,2-bis(4-methoxyphenyl)ethane-1,2-diamine (CID 585976) is 1,2-bis(4-methoxyphenyl)ethane-1,2-diamine.
What is the SMILES notation for 1,2-bis(4-methoxyphenyl)ethane-1,2-diamine?
The canonical SMILES for 1,2-bis(4-methoxyphenyl)ethane-1,2-diamine is COc1ccc(C(N)C(N)c2ccc(OC)cc2)cc1.
What is the InChIKey of 1,2-bis(4-methoxyphenyl)ethane-1,2-diamine?
The InChIKey is ZWMPRHYHRAUVGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-19-13-7-3-11(4-8-13)15(17)16(18)12-5-9-14(20-2)10-6-12/h3-10,15-16H,17-18H2,1-2H3.
What are the key properties of 1,2-bis(4-methoxyphenyl)ethane-1,2-diamine?
1,2-bis(4-methoxyphenyl)ethane-1,2-diamine has a molecular weight of 272.35 g/mol, XLogP of 2.40, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis(4-methoxyphenyl)ethane-1,2-diamine is sourced from PubChem (CID 585976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).