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

C9H16Cl2N2O — CID 3018350

IUPAC4-N-(2-methoxyethyl)benzene-1,4-diamine;dihydrochloride
SMILESCOCCNc1ccc(N)cc1.Cl.Cl
InChIInChI=1S/C9H14N2O.2ClH/c1-12-7-6-11-9-4-2-8(10)3-5-9;;/h2-5,11H,6-7,10H2,1H3;2*1H
InChIKeyRQIJPFIYXBNVAG-UHFFFAOYSA-N
MW239.15 g/mol
LogP2.17
Rot. Bonds4

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

4-N-(2-methoxyethyl)benzene-1,4-diamine;dihydrochloride (PubChem CID 3018350) has the molecular formula C9H16Cl2N2O and a molecular weight of 239.15 g/mol. Its IUPAC name is 4-N-(2-methoxyethyl)benzene-1,4-diamine;dihydrochloride.

Molecular Properties

Compound Name4-N-(2-methoxyethyl)benzene-1,4-diamine;dihydrochloride
PubChem CID3018350
Molecular FormulaC9H16Cl2N2O
Molecular Weight239.15 g/mol
Exact Mass238.06
IUPAC Name4-N-(2-methoxyethyl)benzene-1,4-diamine;dihydrochloride
SMILESCOCCNc1ccc(N)cc1.Cl.Cl
InChIInChI=1S/C9H14N2O.2ClH/c1-12-7-6-11-9-4-2-8(10)3-5-9;;/h2-5,11H,6-7,10H2,1H3;2*1H
InChIKeyRQIJPFIYXBNVAG-UHFFFAOYSA-N
XLogP2.17
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.15
LogP ≤ 52.17
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;dihydrochloride?
The IUPAC name of 4-N-(2-methoxyethyl)benzene-1,4-diamine;dihydrochloride (CID 3018350) is 4-N-(2-methoxyethyl)benzene-1,4-diamine;dihydrochloride.
What is the SMILES notation for 4-N-(2-methoxyethyl)benzene-1,4-diamine;dihydrochloride?
The canonical SMILES for 4-N-(2-methoxyethyl)benzene-1,4-diamine;dihydrochloride is COCCNc1ccc(N)cc1.Cl.Cl.
What is the InChIKey of 4-N-(2-methoxyethyl)benzene-1,4-diamine;dihydrochloride?
The InChIKey is RQIJPFIYXBNVAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O.2ClH/c1-12-7-6-11-9-4-2-8(10)3-5-9;;/h2-5,11H,6-7,10H2,1H3;2*1H.
What are the key properties of 4-N-(2-methoxyethyl)benzene-1,4-diamine;dihydrochloride?
4-N-(2-methoxyethyl)benzene-1,4-diamine;dihydrochloride has a molecular weight of 239.15 g/mol, XLogP of 2.17, 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;dihydrochloride is sourced from PubChem (CID 3018350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).