1-[benzyl-[(Z)-(3-methylphenyl)methylideneamino]amino]propan-2-ol

C18H22N2O — CID 23265455

IUPAC1-[benzyl-[(Z)-(3-methylphenyl)methylideneamino]amino]propan-2-ol
SMILESCc1cccc(/C=N\N(Cc2ccccc2)CC(C)O)c1
InChIInChI=1S/C18H22N2O/c1-15-7-6-10-18(11-15)12-19-20(13-16(2)21)14-17-8-4-3-5-9-17/h3-12,16,21H,13-14H2,1-2H3/b19-12-
InChIKeyXQFQQDOTIFFHRK-UNOMPAQXSA-N
MW282.39 g/mol
LogP3.21
Rot. Bonds6

About 1-[benzyl-[(Z)-(3-methylphenyl)methylideneamino]amino]propan-2-ol

1-[benzyl-[(Z)-(3-methylphenyl)methylideneamino]amino]propan-2-ol (PubChem CID 23265455) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is 1-[benzyl-[(Z)-(3-methylphenyl)methylideneamino]amino]propan-2-ol.

Molecular Properties

Compound Name1-[benzyl-[(Z)-(3-methylphenyl)methylideneamino]amino]propan-2-ol
PubChem CID23265455
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC Name1-[benzyl-[(Z)-(3-methylphenyl)methylideneamino]amino]propan-2-ol
SMILESCc1cccc(/C=N\N(Cc2ccccc2)CC(C)O)c1
InChIInChI=1S/C18H22N2O/c1-15-7-6-10-18(11-15)12-19-20(13-16(2)21)14-17-8-4-3-5-9-17/h3-12,16,21H,13-14H2,1-2H3/b19-12-
InChIKeyXQFQQDOTIFFHRK-UNOMPAQXSA-N
XLogP3.21
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.21
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)-(3-methylphenyl)methylideneamino]amino]propan-2-ol?
The IUPAC name of 1-[benzyl-[(Z)-(3-methylphenyl)methylideneamino]amino]propan-2-ol (CID 23265455) is 1-[benzyl-[(Z)-(3-methylphenyl)methylideneamino]amino]propan-2-ol.
What is the SMILES notation for 1-[benzyl-[(Z)-(3-methylphenyl)methylideneamino]amino]propan-2-ol?
The canonical SMILES for 1-[benzyl-[(Z)-(3-methylphenyl)methylideneamino]amino]propan-2-ol is Cc1cccc(/C=N\N(Cc2ccccc2)CC(C)O)c1.
What is the InChIKey of 1-[benzyl-[(Z)-(3-methylphenyl)methylideneamino]amino]propan-2-ol?
The InChIKey is XQFQQDOTIFFHRK-UNOMPAQXSA-N. The full InChI is InChI=1S/C18H22N2O/c1-15-7-6-10-18(11-15)12-19-20(13-16(2)21)14-17-8-4-3-5-9-17/h3-12,16,21H,13-14H2,1-2H3/b19-12-.
What are the key properties of 1-[benzyl-[(Z)-(3-methylphenyl)methylideneamino]amino]propan-2-ol?
1-[benzyl-[(Z)-(3-methylphenyl)methylideneamino]amino]propan-2-ol has a molecular weight of 282.39 g/mol, XLogP of 3.21, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[benzyl-[(Z)-(3-methylphenyl)methylideneamino]amino]propan-2-ol is sourced from PubChem (CID 23265455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).