2-[benzyl-[(Z)-1-(4-chlorophenyl)ethylideneamino]amino]ethanol

C17H19ClN2O — CID 23265388

IUPAC2-[benzyl-[(Z)-1-(4-chlorophenyl)ethylideneamino]amino]ethanol
SMILESC/C(=N/N(CCO)Cc1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C17H19ClN2O/c1-14(16-7-9-17(18)10-8-16)19-20(11-12-21)13-15-5-3-2-4-6-15/h2-10,21H,11-13H2,1H3/b19-14-
InChIKeyQUMOHCCEPKCSBK-RGEXLXHISA-N
MW302.81 g/mol
LogP3.56
Rot. Bonds6

About 2-[benzyl-[(Z)-1-(4-chlorophenyl)ethylideneamino]amino]ethanol

2-[benzyl-[(Z)-1-(4-chlorophenyl)ethylideneamino]amino]ethanol (PubChem CID 23265388) has the molecular formula C17H19ClN2O and a molecular weight of 302.81 g/mol. Its IUPAC name is 2-[benzyl-[(Z)-1-(4-chlorophenyl)ethylideneamino]amino]ethanol.

Molecular Properties

Compound Name2-[benzyl-[(Z)-1-(4-chlorophenyl)ethylideneamino]amino]ethanol
PubChem CID23265388
Molecular FormulaC17H19ClN2O
Molecular Weight302.81 g/mol
Exact Mass302.12
IUPAC Name2-[benzyl-[(Z)-1-(4-chlorophenyl)ethylideneamino]amino]ethanol
SMILESC/C(=N/N(CCO)Cc1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C17H19ClN2O/c1-14(16-7-9-17(18)10-8-16)19-20(11-12-21)13-15-5-3-2-4-6-15/h2-10,21H,11-13H2,1H3/b19-14-
InChIKeyQUMOHCCEPKCSBK-RGEXLXHISA-N
XLogP3.56
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.81
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[benzyl-[(Z)-1-(4-chlorophenyl)ethylideneamino]amino]ethanol?
The IUPAC name of 2-[benzyl-[(Z)-1-(4-chlorophenyl)ethylideneamino]amino]ethanol (CID 23265388) is 2-[benzyl-[(Z)-1-(4-chlorophenyl)ethylideneamino]amino]ethanol.
What is the SMILES notation for 2-[benzyl-[(Z)-1-(4-chlorophenyl)ethylideneamino]amino]ethanol?
The canonical SMILES for 2-[benzyl-[(Z)-1-(4-chlorophenyl)ethylideneamino]amino]ethanol is C/C(=N/N(CCO)Cc1ccccc1)c1ccc(Cl)cc1.
What is the InChIKey of 2-[benzyl-[(Z)-1-(4-chlorophenyl)ethylideneamino]amino]ethanol?
The InChIKey is QUMOHCCEPKCSBK-RGEXLXHISA-N. The full InChI is InChI=1S/C17H19ClN2O/c1-14(16-7-9-17(18)10-8-16)19-20(11-12-21)13-15-5-3-2-4-6-15/h2-10,21H,11-13H2,1H3/b19-14-.
What are the key properties of 2-[benzyl-[(Z)-1-(4-chlorophenyl)ethylideneamino]amino]ethanol?
2-[benzyl-[(Z)-1-(4-chlorophenyl)ethylideneamino]amino]ethanol has a molecular weight of 302.81 g/mol, XLogP of 3.56, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl-[(Z)-1-(4-chlorophenyl)ethylideneamino]amino]ethanol is sourced from PubChem (CID 23265388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).