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

C9H14N2O — CID 3018351

IUPAC4-N-(2-methoxyethyl)benzene-1,4-diamine
SMILESCOCCNc1ccc(N)cc1
InChIInChI=1S/C9H14N2O/c1-12-7-6-11-9-4-2-8(10)3-5-9/h2-5,11H,6-7,10H2,1H3
InChIKeyXCJRRZLPXALCIP-UHFFFAOYSA-N
MW166.22 g/mol
LogP1.33
Rot. Bonds4

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

4-N-(2-methoxyethyl)benzene-1,4-diamine (PubChem CID 3018351) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is 4-N-(2-methoxyethyl)benzene-1,4-diamine.

Molecular Properties

Compound Name4-N-(2-methoxyethyl)benzene-1,4-diamine
PubChem CID3018351
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC Name4-N-(2-methoxyethyl)benzene-1,4-diamine
SMILESCOCCNc1ccc(N)cc1
InChIInChI=1S/C9H14N2O/c1-12-7-6-11-9-4-2-8(10)3-5-9/h2-5,11H,6-7,10H2,1H3
InChIKeyXCJRRZLPXALCIP-UHFFFAOYSA-N
XLogP1.33
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-N-(2-methoxyethyl)benzene-1,4-diamine?
The IUPAC name of 4-N-(2-methoxyethyl)benzene-1,4-diamine (CID 3018351) is 4-N-(2-methoxyethyl)benzene-1,4-diamine.
What is the SMILES notation for 4-N-(2-methoxyethyl)benzene-1,4-diamine?
The canonical SMILES for 4-N-(2-methoxyethyl)benzene-1,4-diamine is COCCNc1ccc(N)cc1.
What is the InChIKey of 4-N-(2-methoxyethyl)benzene-1,4-diamine?
The InChIKey is XCJRRZLPXALCIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O/c1-12-7-6-11-9-4-2-8(10)3-5-9/h2-5,11H,6-7,10H2,1H3.
What are the key properties of 4-N-(2-methoxyethyl)benzene-1,4-diamine?
4-N-(2-methoxyethyl)benzene-1,4-diamine has a molecular weight of 166.22 g/mol, XLogP of 1.33, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-methoxyethyl)benzene-1,4-diamine is sourced from PubChem (CID 3018351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).