2-[[(2-hydroxy-2-phenylethyl)amino]methyl]cyclohexan-1-one

C15H21NO2 — CID 110176156

IUPAC2-[[(2-hydroxy-2-phenylethyl)amino]methyl]cyclohexan-1-one
SMILESO=C1CCCCC1CNCC(O)c1ccccc1
InChIInChI=1S/C15H21NO2/c17-14-9-5-4-8-13(14)10-16-11-15(18)12-6-2-1-3-7-12/h1-3,6-7,13,15-16,18H,4-5,8-11H2
InChIKeyFIYNAGLTBUZPFP-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.07
Rot. Bonds5

About 2-[[(2-hydroxy-2-phenylethyl)amino]methyl]cyclohexan-1-one

2-[[(2-hydroxy-2-phenylethyl)amino]methyl]cyclohexan-1-one (PubChem CID 110176156) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 2-[[(2-hydroxy-2-phenylethyl)amino]methyl]cyclohexan-1-one.

Molecular Properties

Compound Name2-[[(2-hydroxy-2-phenylethyl)amino]methyl]cyclohexan-1-one
PubChem CID110176156
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name2-[[(2-hydroxy-2-phenylethyl)amino]methyl]cyclohexan-1-one
SMILESO=C1CCCCC1CNCC(O)c1ccccc1
InChIInChI=1S/C15H21NO2/c17-14-9-5-4-8-13(14)10-16-11-15(18)12-6-2-1-3-7-12/h1-3,6-7,13,15-16,18H,4-5,8-11H2
InChIKeyFIYNAGLTBUZPFP-UHFFFAOYSA-N
XLogP2.07
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-Methylphenylethanolamine
CID 913
alpha-(((1-Methylethyl)amino)methyl)benzenemethanol
CID 20119
Fepradinol
CID 68819
Benzyl alcohol, alpha-(phenethylamino)methyl-
CID 20118
alpha-((Cyclohexylamino)methyl)benzenemethanol
CID 23064
N-[(1R,3R)-3-hydroxy-1-(hydroxymethyl)-3-phenylpropyl]tridecanamide
CID 10045162
N-[(1R,3R)-3-hydroxy-1-(hydroxymethyl)-3-phenylpropyl]tetradecanamide
CID 11143662
2-(tert-Butylamino)-1-phenylethanol
CID 533905
3-[(2-Hydroxy-2-phenylethyl)amino]-5,5-dimethylcyclohex-2-en-1-one
CID 3134425
2-(Benzylamino)-1-phenylethanol
CID 229746
alpha-((Ethylamino)methyl)benzenemethanol
CID 95618
N-[(2R,4R)-1,4-dihydroxy-4-phenylbutan-2-yl]pentadecanamide
CID 10971504

Frequently Asked Questions

What is the IUPAC name of 2-[[(2-hydroxy-2-phenylethyl)amino]methyl]cyclohexan-1-one?
The IUPAC name of 2-[[(2-hydroxy-2-phenylethyl)amino]methyl]cyclohexan-1-one (CID 110176156) is 2-[[(2-hydroxy-2-phenylethyl)amino]methyl]cyclohexan-1-one.
What is the SMILES notation for 2-[[(2-hydroxy-2-phenylethyl)amino]methyl]cyclohexan-1-one?
The canonical SMILES for 2-[[(2-hydroxy-2-phenylethyl)amino]methyl]cyclohexan-1-one is O=C1CCCCC1CNCC(O)c1ccccc1.
What is the InChIKey of 2-[[(2-hydroxy-2-phenylethyl)amino]methyl]cyclohexan-1-one?
The InChIKey is FIYNAGLTBUZPFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c17-14-9-5-4-8-13(14)10-16-11-15(18)12-6-2-1-3-7-12/h1-3,6-7,13,15-16,18H,4-5,8-11H2.
What are the key properties of 2-[[(2-hydroxy-2-phenylethyl)amino]methyl]cyclohexan-1-one?
2-[[(2-hydroxy-2-phenylethyl)amino]methyl]cyclohexan-1-one has a molecular weight of 247.34 g/mol, XLogP of 2.07, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2-hydroxy-2-phenylethyl)amino]methyl]cyclohexan-1-one is sourced from PubChem (CID 110176156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).