2-[(4-chlorophenyl)methylideneamino]-1-phenylethanol

C15H14ClNO — CID 2841062

IUPAC2-[(4-chlorophenyl)methylideneamino]-1-phenylethanol
SMILESOC(C/N=C/c1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C15H14ClNO/c16-14-8-6-12(7-9-14)10-17-11-15(18)13-4-2-1-3-5-13/h1-10,15,18H,11H2/b17-10+
InChIKeyHDLMDHHKTTZOEC-LICLKQGHSA-N
MW259.74 g/mol
LogP3.49
Rot. Bonds4

About 2-[(4-chlorophenyl)methylideneamino]-1-phenylethanol

2-[(4-chlorophenyl)methylideneamino]-1-phenylethanol (PubChem CID 2841062) has the molecular formula C15H14ClNO and a molecular weight of 259.74 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methylideneamino]-1-phenylethanol.

Molecular Properties

Compound Name2-[(4-chlorophenyl)methylideneamino]-1-phenylethanol
PubChem CID2841062
Molecular FormulaC15H14ClNO
Molecular Weight259.74 g/mol
Exact Mass259.08
IUPAC Name2-[(4-chlorophenyl)methylideneamino]-1-phenylethanol
SMILESOC(C/N=C/c1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C15H14ClNO/c16-14-8-6-12(7-9-14)10-17-11-15(18)13-4-2-1-3-5-13/h1-10,15,18H,11H2/b17-10+
InChIKeyHDLMDHHKTTZOEC-LICLKQGHSA-N
XLogP3.49
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.74
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 2-[(4-chlorophenyl)methylideneamino]-1-phenylethanol?
The IUPAC name of 2-[(4-chlorophenyl)methylideneamino]-1-phenylethanol (CID 2841062) is 2-[(4-chlorophenyl)methylideneamino]-1-phenylethanol.
What is the SMILES notation for 2-[(4-chlorophenyl)methylideneamino]-1-phenylethanol?
The canonical SMILES for 2-[(4-chlorophenyl)methylideneamino]-1-phenylethanol is OC(C/N=C/c1ccc(Cl)cc1)c1ccccc1.
What is the InChIKey of 2-[(4-chlorophenyl)methylideneamino]-1-phenylethanol?
The InChIKey is HDLMDHHKTTZOEC-LICLKQGHSA-N. The full InChI is InChI=1S/C15H14ClNO/c16-14-8-6-12(7-9-14)10-17-11-15(18)13-4-2-1-3-5-13/h1-10,15,18H,11H2/b17-10+.
What are the key properties of 2-[(4-chlorophenyl)methylideneamino]-1-phenylethanol?
2-[(4-chlorophenyl)methylideneamino]-1-phenylethanol has a molecular weight of 259.74 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)methylideneamino]-1-phenylethanol is sourced from PubChem (CID 2841062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).