4-N-ethyl-2-methoxy-1-N-(1-methoxyethyl)benzene-1,4-diamine

C12H20N2O2 — CID 70469273

IUPAC4-N-ethyl-2-methoxy-1-N-(1-methoxyethyl)benzene-1,4-diamine
SMILESCCNc1ccc(NC(C)OC)c(OC)c1
InChIInChI=1S/C12H20N2O2/c1-5-13-10-6-7-11(12(8-10)16-4)14-9(2)15-3/h6-9,13-14H,5H2,1-4H3
InChIKeyQFZSXXLALGVYEF-UHFFFAOYSA-N
MW224.30 g/mol
LogP2.53
Rot. Bonds6

About 4-N-ethyl-2-methoxy-1-N-(1-methoxyethyl)benzene-1,4-diamine

4-N-ethyl-2-methoxy-1-N-(1-methoxyethyl)benzene-1,4-diamine (PubChem CID 70469273) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is 4-N-ethyl-2-methoxy-1-N-(1-methoxyethyl)benzene-1,4-diamine.

Molecular Properties

Compound Name4-N-ethyl-2-methoxy-1-N-(1-methoxyethyl)benzene-1,4-diamine
PubChem CID70469273
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name4-N-ethyl-2-methoxy-1-N-(1-methoxyethyl)benzene-1,4-diamine
SMILESCCNc1ccc(NC(C)OC)c(OC)c1
InChIInChI=1S/C12H20N2O2/c1-5-13-10-6-7-11(12(8-10)16-4)14-9(2)15-3/h6-9,13-14H,5H2,1-4H3
InChIKeyQFZSXXLALGVYEF-UHFFFAOYSA-N
XLogP2.53
TPSA42.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-N-ethyl-2-methoxy-1-N-(1-methoxyethyl)benzene-1,4-diamine?
The IUPAC name of 4-N-ethyl-2-methoxy-1-N-(1-methoxyethyl)benzene-1,4-diamine (CID 70469273) is 4-N-ethyl-2-methoxy-1-N-(1-methoxyethyl)benzene-1,4-diamine.
What is the SMILES notation for 4-N-ethyl-2-methoxy-1-N-(1-methoxyethyl)benzene-1,4-diamine?
The canonical SMILES for 4-N-ethyl-2-methoxy-1-N-(1-methoxyethyl)benzene-1,4-diamine is CCNc1ccc(NC(C)OC)c(OC)c1.
What is the InChIKey of 4-N-ethyl-2-methoxy-1-N-(1-methoxyethyl)benzene-1,4-diamine?
The InChIKey is QFZSXXLALGVYEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-5-13-10-6-7-11(12(8-10)16-4)14-9(2)15-3/h6-9,13-14H,5H2,1-4H3.
What are the key properties of 4-N-ethyl-2-methoxy-1-N-(1-methoxyethyl)benzene-1,4-diamine?
4-N-ethyl-2-methoxy-1-N-(1-methoxyethyl)benzene-1,4-diamine has a molecular weight of 224.30 g/mol, XLogP of 2.53, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-ethyl-2-methoxy-1-N-(1-methoxyethyl)benzene-1,4-diamine is sourced from PubChem (CID 70469273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).