1,3-bis[(4-chlorophenyl)methylideneamino]propan-2-ol

C17H16Cl2N2O — CID 5325972

IUPAC1,3-bis[(4-chlorophenyl)methylideneamino]propan-2-ol
SMILESOC(C/N=C/c1ccc(Cl)cc1)C/N=C/c1ccc(Cl)cc1
InChIInChI=1S/C17H16Cl2N2O/c18-15-5-1-13(2-6-15)9-20-11-17(22)12-21-10-14-3-7-16(19)8-4-14/h1-10,17,22H,11-12H2/b20-9+,21-10+
InChIKeyKUQZSGZNCJCSSL-VDEHPEQNSA-N
MW335.23 g/mol
LogP3.89
Rot. Bonds6

About 1,3-bis[(4-chlorophenyl)methylideneamino]propan-2-ol

1,3-bis[(4-chlorophenyl)methylideneamino]propan-2-ol (PubChem CID 5325972) has the molecular formula C17H16Cl2N2O and a molecular weight of 335.23 g/mol. Its IUPAC name is 1,3-bis[(4-chlorophenyl)methylideneamino]propan-2-ol.

Molecular Properties

Compound Name1,3-bis[(4-chlorophenyl)methylideneamino]propan-2-ol
PubChem CID5325972
Molecular FormulaC17H16Cl2N2O
Molecular Weight335.23 g/mol
Exact Mass334.06
IUPAC Name1,3-bis[(4-chlorophenyl)methylideneamino]propan-2-ol
SMILESOC(C/N=C/c1ccc(Cl)cc1)C/N=C/c1ccc(Cl)cc1
InChIInChI=1S/C17H16Cl2N2O/c18-15-5-1-13(2-6-15)9-20-11-17(22)12-21-10-14-3-7-16(19)8-4-14/h1-10,17,22H,11-12H2/b20-9+,21-10+
InChIKeyKUQZSGZNCJCSSL-VDEHPEQNSA-N
XLogP3.89
TPSA44.95 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.23
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,3-bis[(4-chlorophenyl)methylideneamino]propan-2-ol?
The IUPAC name of 1,3-bis[(4-chlorophenyl)methylideneamino]propan-2-ol (CID 5325972) is 1,3-bis[(4-chlorophenyl)methylideneamino]propan-2-ol.
What is the SMILES notation for 1,3-bis[(4-chlorophenyl)methylideneamino]propan-2-ol?
The canonical SMILES for 1,3-bis[(4-chlorophenyl)methylideneamino]propan-2-ol is OC(C/N=C/c1ccc(Cl)cc1)C/N=C/c1ccc(Cl)cc1.
What is the InChIKey of 1,3-bis[(4-chlorophenyl)methylideneamino]propan-2-ol?
The InChIKey is KUQZSGZNCJCSSL-VDEHPEQNSA-N. The full InChI is InChI=1S/C17H16Cl2N2O/c18-15-5-1-13(2-6-15)9-20-11-17(22)12-21-10-14-3-7-16(19)8-4-14/h1-10,17,22H,11-12H2/b20-9+,21-10+.
What are the key properties of 1,3-bis[(4-chlorophenyl)methylideneamino]propan-2-ol?
1,3-bis[(4-chlorophenyl)methylideneamino]propan-2-ol has a molecular weight of 335.23 g/mol, XLogP of 3.89, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis[(4-chlorophenyl)methylideneamino]propan-2-ol is sourced from PubChem (CID 5325972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).