N,N'-bis(4-ethoxyphenyl)ethane-1,2-diamine

C18H24N2O2 — CID 11738137

IUPACN,N'-bis(4-ethoxyphenyl)ethane-1,2-diamine
SMILESCCOc1ccc(NCCNc2ccc(OCC)cc2)cc1
InChIInChI=1S/C18H24N2O2/c1-3-21-17-9-5-15(6-10-17)19-13-14-20-16-7-11-18(12-8-16)22-4-2/h5-12,19-20H,3-4,13-14H2,1-2H3
InChIKeyFPKUFEDQBWYPDZ-UHFFFAOYSA-N
MW300.40 g/mol
LogP4.01
Rot. Bonds9

About N,N'-bis(4-ethoxyphenyl)ethane-1,2-diamine

N,N'-bis(4-ethoxyphenyl)ethane-1,2-diamine (PubChem CID 11738137) has the molecular formula C18H24N2O2 and a molecular weight of 300.40 g/mol. Its IUPAC name is N,N'-bis(4-ethoxyphenyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN,N'-bis(4-ethoxyphenyl)ethane-1,2-diamine
PubChem CID11738137
Molecular FormulaC18H24N2O2
Molecular Weight300.40 g/mol
Exact Mass300.18
IUPAC NameN,N'-bis(4-ethoxyphenyl)ethane-1,2-diamine
SMILESCCOc1ccc(NCCNc2ccc(OCC)cc2)cc1
InChIInChI=1S/C18H24N2O2/c1-3-21-17-9-5-15(6-10-17)19-13-14-20-16-7-11-18(12-8-16)22-4-2/h5-12,19-20H,3-4,13-14H2,1-2H3
InChIKeyFPKUFEDQBWYPDZ-UHFFFAOYSA-N
XLogP4.01
TPSA42.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N'-bis(4-ethoxyphenyl)ethane-1,2-diamine?
The IUPAC name of N,N'-bis(4-ethoxyphenyl)ethane-1,2-diamine (CID 11738137) is N,N'-bis(4-ethoxyphenyl)ethane-1,2-diamine.
What is the SMILES notation for N,N'-bis(4-ethoxyphenyl)ethane-1,2-diamine?
The canonical SMILES for N,N'-bis(4-ethoxyphenyl)ethane-1,2-diamine is CCOc1ccc(NCCNc2ccc(OCC)cc2)cc1.
What is the InChIKey of N,N'-bis(4-ethoxyphenyl)ethane-1,2-diamine?
The InChIKey is FPKUFEDQBWYPDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2/c1-3-21-17-9-5-15(6-10-17)19-13-14-20-16-7-11-18(12-8-16)22-4-2/h5-12,19-20H,3-4,13-14H2,1-2H3.
What are the key properties of N,N'-bis(4-ethoxyphenyl)ethane-1,2-diamine?
N,N'-bis(4-ethoxyphenyl)ethane-1,2-diamine has a molecular weight of 300.40 g/mol, XLogP of 4.01, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(4-ethoxyphenyl)ethane-1,2-diamine is sourced from PubChem (CID 11738137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).