2-[4-[(4-amino-2-chlorophenyl)diazenyl]anilino]ethanol

C14H15ClN4O — CID 143560290

IUPAC2-[4-[(4-amino-2-chlorophenyl)diazenyl]anilino]ethanol
SMILESNc1ccc(/N=N/c2ccc(NCCO)cc2)c(Cl)c1
InChIInChI=1S/C14H15ClN4O/c15-13-9-10(16)1-6-14(13)19-18-12-4-2-11(3-5-12)17-7-8-20/h1-6,9,17,20H,7-8,16H2/b19-18+
InChIKeyBPGAWJDPZXLDII-VHEBQXMUSA-N
MW290.75 g/mol
LogP3.74
Rot. Bonds5

About 2-[4-[(4-amino-2-chlorophenyl)diazenyl]anilino]ethanol

2-[4-[(4-amino-2-chlorophenyl)diazenyl]anilino]ethanol (PubChem CID 143560290) has the molecular formula C14H15ClN4O and a molecular weight of 290.75 g/mol. Its IUPAC name is 2-[4-[(4-amino-2-chlorophenyl)diazenyl]anilino]ethanol.

Molecular Properties

Compound Name2-[4-[(4-amino-2-chlorophenyl)diazenyl]anilino]ethanol
PubChem CID143560290
Molecular FormulaC14H15ClN4O
Molecular Weight290.75 g/mol
Exact Mass290.09
IUPAC Name2-[4-[(4-amino-2-chlorophenyl)diazenyl]anilino]ethanol
SMILESNc1ccc(/N=N/c2ccc(NCCO)cc2)c(Cl)c1
InChIInChI=1S/C14H15ClN4O/c15-13-9-10(16)1-6-14(13)19-18-12-4-2-11(3-5-12)17-7-8-20/h1-6,9,17,20H,7-8,16H2/b19-18+
InChIKeyBPGAWJDPZXLDII-VHEBQXMUSA-N
XLogP3.74
TPSA83.00 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.75
LogP ≤ 53.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-amino-2-chlorophenyl)diazenyl]anilino]ethanol?
The IUPAC name of 2-[4-[(4-amino-2-chlorophenyl)diazenyl]anilino]ethanol (CID 143560290) is 2-[4-[(4-amino-2-chlorophenyl)diazenyl]anilino]ethanol.
What is the SMILES notation for 2-[4-[(4-amino-2-chlorophenyl)diazenyl]anilino]ethanol?
The canonical SMILES for 2-[4-[(4-amino-2-chlorophenyl)diazenyl]anilino]ethanol is Nc1ccc(/N=N/c2ccc(NCCO)cc2)c(Cl)c1.
What is the InChIKey of 2-[4-[(4-amino-2-chlorophenyl)diazenyl]anilino]ethanol?
The InChIKey is BPGAWJDPZXLDII-VHEBQXMUSA-N. The full InChI is InChI=1S/C14H15ClN4O/c15-13-9-10(16)1-6-14(13)19-18-12-4-2-11(3-5-12)17-7-8-20/h1-6,9,17,20H,7-8,16H2/b19-18+.
What are the key properties of 2-[4-[(4-amino-2-chlorophenyl)diazenyl]anilino]ethanol?
2-[4-[(4-amino-2-chlorophenyl)diazenyl]anilino]ethanol has a molecular weight of 290.75 g/mol, XLogP of 3.74, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-amino-2-chlorophenyl)diazenyl]anilino]ethanol is sourced from PubChem (CID 143560290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).