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

C15H17ClN2O — CID 18371881

IUPAC2-(4-chlorophenyl)-1-N-(2-methoxyethyl)benzene-1,4-diamine
SMILESCOCCNc1ccc(N)cc1-c1ccc(Cl)cc1
InChIInChI=1S/C15H17ClN2O/c1-19-9-8-18-15-7-6-13(17)10-14(15)11-2-4-12(16)5-3-11/h2-7,10,18H,8-9,17H2,1H3
InChIKeyGGXALJOSSRUHHD-UHFFFAOYSA-N
MW276.77 g/mol
LogP3.65
Rot. Bonds5

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

2-(4-chlorophenyl)-1-N-(2-methoxyethyl)benzene-1,4-diamine (PubChem CID 18371881) has the molecular formula C15H17ClN2O and a molecular weight of 276.77 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-1-N-(2-methoxyethyl)benzene-1,4-diamine.

Molecular Properties

Compound Name2-(4-chlorophenyl)-1-N-(2-methoxyethyl)benzene-1,4-diamine
PubChem CID18371881
Molecular FormulaC15H17ClN2O
Molecular Weight276.77 g/mol
Exact Mass276.10
IUPAC Name2-(4-chlorophenyl)-1-N-(2-methoxyethyl)benzene-1,4-diamine
SMILESCOCCNc1ccc(N)cc1-c1ccc(Cl)cc1
InChIInChI=1S/C15H17ClN2O/c1-19-9-8-18-15-7-6-13(17)10-14(15)11-2-4-12(16)5-3-11/h2-7,10,18H,8-9,17H2,1H3
InChIKeyGGXALJOSSRUHHD-UHFFFAOYSA-N
XLogP3.65
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.77
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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 2-(4-chlorophenyl)-1-N-(2-methoxyethyl)benzene-1,4-diamine?
The IUPAC name of 2-(4-chlorophenyl)-1-N-(2-methoxyethyl)benzene-1,4-diamine (CID 18371881) is 2-(4-chlorophenyl)-1-N-(2-methoxyethyl)benzene-1,4-diamine.
What is the SMILES notation for 2-(4-chlorophenyl)-1-N-(2-methoxyethyl)benzene-1,4-diamine?
The canonical SMILES for 2-(4-chlorophenyl)-1-N-(2-methoxyethyl)benzene-1,4-diamine is COCCNc1ccc(N)cc1-c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-1-N-(2-methoxyethyl)benzene-1,4-diamine?
The InChIKey is GGXALJOSSRUHHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O/c1-19-9-8-18-15-7-6-13(17)10-14(15)11-2-4-12(16)5-3-11/h2-7,10,18H,8-9,17H2,1H3.
What are the key properties of 2-(4-chlorophenyl)-1-N-(2-methoxyethyl)benzene-1,4-diamine?
2-(4-chlorophenyl)-1-N-(2-methoxyethyl)benzene-1,4-diamine has a molecular weight of 276.77 g/mol, XLogP of 3.65, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-1-N-(2-methoxyethyl)benzene-1,4-diamine is sourced from PubChem (CID 18371881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).