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

C16H17NO2 — CID 2841123

IUPAC2-[(4-methoxyphenyl)methylideneamino]-1-phenylethanol
SMILESCOc1ccc(/C=N/CC(O)c2ccccc2)cc1
InChIInChI=1S/C16H17NO2/c1-19-15-9-7-13(8-10-15)11-17-12-16(18)14-5-3-2-4-6-14/h2-11,16,18H,12H2,1H3/b17-11+
InChIKeyCAGMSXRZMNJGMT-GZTJUZNOSA-N
MW255.32 g/mol
LogP2.85
Rot. Bonds5

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

2-[(4-methoxyphenyl)methylideneamino]-1-phenylethanol (PubChem CID 2841123) has the molecular formula C16H17NO2 and a molecular weight of 255.32 g/mol. Its IUPAC name is 2-[(4-methoxyphenyl)methylideneamino]-1-phenylethanol.

Molecular Properties

Compound Name2-[(4-methoxyphenyl)methylideneamino]-1-phenylethanol
PubChem CID2841123
Molecular FormulaC16H17NO2
Molecular Weight255.32 g/mol
Exact Mass255.13
IUPAC Name2-[(4-methoxyphenyl)methylideneamino]-1-phenylethanol
SMILESCOc1ccc(/C=N/CC(O)c2ccccc2)cc1
InChIInChI=1S/C16H17NO2/c1-19-15-9-7-13(8-10-15)11-17-12-16(18)14-5-3-2-4-6-14/h2-11,16,18H,12H2,1H3/b17-11+
InChIKeyCAGMSXRZMNJGMT-GZTJUZNOSA-N
XLogP2.85
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[(4-methoxyphenyl)methylideneamino]-1-phenylethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxyphenyl)methylideneamino]-1-phenylethanol?
The IUPAC name of 2-[(4-methoxyphenyl)methylideneamino]-1-phenylethanol (CID 2841123) is 2-[(4-methoxyphenyl)methylideneamino]-1-phenylethanol.
What is the SMILES notation for 2-[(4-methoxyphenyl)methylideneamino]-1-phenylethanol?
The canonical SMILES for 2-[(4-methoxyphenyl)methylideneamino]-1-phenylethanol is COc1ccc(/C=N/CC(O)c2ccccc2)cc1.
What is the InChIKey of 2-[(4-methoxyphenyl)methylideneamino]-1-phenylethanol?
The InChIKey is CAGMSXRZMNJGMT-GZTJUZNOSA-N. The full InChI is InChI=1S/C16H17NO2/c1-19-15-9-7-13(8-10-15)11-17-12-16(18)14-5-3-2-4-6-14/h2-11,16,18H,12H2,1H3/b17-11+.
What are the key properties of 2-[(4-methoxyphenyl)methylideneamino]-1-phenylethanol?
2-[(4-methoxyphenyl)methylideneamino]-1-phenylethanol has a molecular weight of 255.32 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxyphenyl)methylideneamino]-1-phenylethanol is sourced from PubChem (CID 2841123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).