1-[4-[3-[(cyclohexylamino)methyl]-4-hydroxyphenyl]phenyl]ethanone

C21H25NO2 — CID 143520117

IUPAC1-[4-[3-[(cyclohexylamino)methyl]-4-hydroxyphenyl]phenyl]ethanone
SMILESCC(=O)c1ccc(-c2ccc(O)c(CNC3CCCCC3)c2)cc1
InChIInChI=1S/C21H25NO2/c1-15(23)16-7-9-17(10-8-16)18-11-12-21(24)19(13-18)14-22-20-5-3-2-4-6-20/h7-13,20,22,24H,2-6,14H2,1H3
InChIKeyJOZFAXHZLPWUFF-UHFFFAOYSA-N
MW323.44 g/mol
LogP4.68
Rot. Bonds5

About 1-[4-[3-[(cyclohexylamino)methyl]-4-hydroxyphenyl]phenyl]ethanone

1-[4-[3-[(cyclohexylamino)methyl]-4-hydroxyphenyl]phenyl]ethanone (PubChem CID 143520117) has the molecular formula C21H25NO2 and a molecular weight of 323.44 g/mol. Its IUPAC name is 1-[4-[3-[(cyclohexylamino)methyl]-4-hydroxyphenyl]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-[3-[(cyclohexylamino)methyl]-4-hydroxyphenyl]phenyl]ethanone
PubChem CID143520117
Molecular FormulaC21H25NO2
Molecular Weight323.44 g/mol
Exact Mass323.19
IUPAC Name1-[4-[3-[(cyclohexylamino)methyl]-4-hydroxyphenyl]phenyl]ethanone
SMILESCC(=O)c1ccc(-c2ccc(O)c(CNC3CCCCC3)c2)cc1
InChIInChI=1S/C21H25NO2/c1-15(23)16-7-9-17(10-8-16)18-11-12-21(24)19(13-18)14-22-20-5-3-2-4-6-20/h7-13,20,22,24H,2-6,14H2,1H3
InChIKeyJOZFAXHZLPWUFF-UHFFFAOYSA-N
XLogP4.68
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-[(cyclohexylamino)methyl]-4-hydroxyphenyl]phenyl]ethanone?
The IUPAC name of 1-[4-[3-[(cyclohexylamino)methyl]-4-hydroxyphenyl]phenyl]ethanone (CID 143520117) is 1-[4-[3-[(cyclohexylamino)methyl]-4-hydroxyphenyl]phenyl]ethanone.
What is the SMILES notation for 1-[4-[3-[(cyclohexylamino)methyl]-4-hydroxyphenyl]phenyl]ethanone?
The canonical SMILES for 1-[4-[3-[(cyclohexylamino)methyl]-4-hydroxyphenyl]phenyl]ethanone is CC(=O)c1ccc(-c2ccc(O)c(CNC3CCCCC3)c2)cc1.
What is the InChIKey of 1-[4-[3-[(cyclohexylamino)methyl]-4-hydroxyphenyl]phenyl]ethanone?
The InChIKey is JOZFAXHZLPWUFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO2/c1-15(23)16-7-9-17(10-8-16)18-11-12-21(24)19(13-18)14-22-20-5-3-2-4-6-20/h7-13,20,22,24H,2-6,14H2,1H3.
What are the key properties of 1-[4-[3-[(cyclohexylamino)methyl]-4-hydroxyphenyl]phenyl]ethanone?
1-[4-[3-[(cyclohexylamino)methyl]-4-hydroxyphenyl]phenyl]ethanone has a molecular weight of 323.44 g/mol, XLogP of 4.68, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-[(cyclohexylamino)methyl]-4-hydroxyphenyl]phenyl]ethanone is sourced from PubChem (CID 143520117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).