1-[benzyl-[(Z)-(4-chlorophenyl)methylideneamino]amino]propan-2-ol

C17H19ClN2O — CID 23265387

IUPAC1-[benzyl-[(Z)-(4-chlorophenyl)methylideneamino]amino]propan-2-ol
SMILESCC(O)CN(Cc1ccccc1)/N=C\c1ccc(Cl)cc1
InChIInChI=1S/C17H19ClN2O/c1-14(21)12-20(13-16-5-3-2-4-6-16)19-11-15-7-9-17(18)10-8-15/h2-11,14,21H,12-13H2,1H3/b19-11-
InChIKeyBIWBBKYVWIHTLY-ODLFYWEKSA-N
MW302.81 g/mol
LogP3.56
Rot. Bonds6

About 1-[benzyl-[(Z)-(4-chlorophenyl)methylideneamino]amino]propan-2-ol

1-[benzyl-[(Z)-(4-chlorophenyl)methylideneamino]amino]propan-2-ol (PubChem CID 23265387) has the molecular formula C17H19ClN2O and a molecular weight of 302.81 g/mol. Its IUPAC name is 1-[benzyl-[(Z)-(4-chlorophenyl)methylideneamino]amino]propan-2-ol.

Molecular Properties

Compound Name1-[benzyl-[(Z)-(4-chlorophenyl)methylideneamino]amino]propan-2-ol
PubChem CID23265387
Molecular FormulaC17H19ClN2O
Molecular Weight302.81 g/mol
Exact Mass302.12
IUPAC Name1-[benzyl-[(Z)-(4-chlorophenyl)methylideneamino]amino]propan-2-ol
SMILESCC(O)CN(Cc1ccccc1)/N=C\c1ccc(Cl)cc1
InChIInChI=1S/C17H19ClN2O/c1-14(21)12-20(13-16-5-3-2-4-6-16)19-11-15-7-9-17(18)10-8-15/h2-11,14,21H,12-13H2,1H3/b19-11-
InChIKeyBIWBBKYVWIHTLY-ODLFYWEKSA-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 1-[benzyl-[(Z)-(4-chlorophenyl)methylideneamino]amino]propan-2-ol?
The IUPAC name of 1-[benzyl-[(Z)-(4-chlorophenyl)methylideneamino]amino]propan-2-ol (CID 23265387) is 1-[benzyl-[(Z)-(4-chlorophenyl)methylideneamino]amino]propan-2-ol.
What is the SMILES notation for 1-[benzyl-[(Z)-(4-chlorophenyl)methylideneamino]amino]propan-2-ol?
The canonical SMILES for 1-[benzyl-[(Z)-(4-chlorophenyl)methylideneamino]amino]propan-2-ol is CC(O)CN(Cc1ccccc1)/N=C\c1ccc(Cl)cc1.
What is the InChIKey of 1-[benzyl-[(Z)-(4-chlorophenyl)methylideneamino]amino]propan-2-ol?
The InChIKey is BIWBBKYVWIHTLY-ODLFYWEKSA-N. The full InChI is InChI=1S/C17H19ClN2O/c1-14(21)12-20(13-16-5-3-2-4-6-16)19-11-15-7-9-17(18)10-8-15/h2-11,14,21H,12-13H2,1H3/b19-11-.
What are the key properties of 1-[benzyl-[(Z)-(4-chlorophenyl)methylideneamino]amino]propan-2-ol?
1-[benzyl-[(Z)-(4-chlorophenyl)methylideneamino]amino]propan-2-ol 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 1-[benzyl-[(Z)-(4-chlorophenyl)methylideneamino]amino]propan-2-ol is sourced from PubChem (CID 23265387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).