(2S)-2-amino-3-cyclohexyl-1-phenylpropan-1-one

C15H21NO — CID 101260297

IUPAC(2S)-2-amino-3-cyclohexyl-1-phenylpropan-1-one
SMILESN[C@@H](CC1CCCCC1)C(=O)c1ccccc1
InChIInChI=1S/C15H21NO/c16-14(11-12-7-3-1-4-8-12)15(17)13-9-5-2-6-10-13/h2,5-6,9-10,12,14H,1,3-4,7-8,11,16H2/t14-/m0/s1
InChIKeyYFIZUFIHTQYYLI-AWEZNQCLSA-N
MW231.34 g/mol
LogP3.17
Rot. Bonds4

About (2S)-2-amino-3-cyclohexyl-1-phenylpropan-1-one

(2S)-2-amino-3-cyclohexyl-1-phenylpropan-1-one (PubChem CID 101260297) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is (2S)-2-amino-3-cyclohexyl-1-phenylpropan-1-one.

Molecular Properties

Compound Name(2S)-2-amino-3-cyclohexyl-1-phenylpropan-1-one
PubChem CID101260297
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name(2S)-2-amino-3-cyclohexyl-1-phenylpropan-1-one
SMILESN[C@@H](CC1CCCCC1)C(=O)c1ccccc1
InChIInChI=1S/C15H21NO/c16-14(11-12-7-3-1-4-8-12)15(17)13-9-5-2-6-10-13/h2,5-6,9-10,12,14H,1,3-4,7-8,11,16H2/t14-/m0/s1
InChIKeyYFIZUFIHTQYYLI-AWEZNQCLSA-N
XLogP3.17
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 82404437
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2-amino-2-cyclobutyl-1-phenylethanone
CID 54531092
2-cycloheptyl-1-phenylpropan-1-one
CID 104844954
2,3-diamino-1-phenylpropan-1-one
CID 4990100
3-amino-4-cyclohexylbutan-2-one
CID 20668322
2-cyclopentyl-3-oxo-3-phenylpropanoic acid
CID 174799211
(2R)-3-cyclohexyl-3-hydroxy-2-methyl-1-phenylpropan-1-one
CID 134997515
2-amino-3-cyclohexylpropanoic acid;(2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid
CID 175252899

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-cyclohexyl-1-phenylpropan-1-one?
The IUPAC name of (2S)-2-amino-3-cyclohexyl-1-phenylpropan-1-one (CID 101260297) is (2S)-2-amino-3-cyclohexyl-1-phenylpropan-1-one.
What is the SMILES notation for (2S)-2-amino-3-cyclohexyl-1-phenylpropan-1-one?
The canonical SMILES for (2S)-2-amino-3-cyclohexyl-1-phenylpropan-1-one is N[C@@H](CC1CCCCC1)C(=O)c1ccccc1.
What is the InChIKey of (2S)-2-amino-3-cyclohexyl-1-phenylpropan-1-one?
The InChIKey is YFIZUFIHTQYYLI-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H21NO/c16-14(11-12-7-3-1-4-8-12)15(17)13-9-5-2-6-10-13/h2,5-6,9-10,12,14H,1,3-4,7-8,11,16H2/t14-/m0/s1.
What are the key properties of (2S)-2-amino-3-cyclohexyl-1-phenylpropan-1-one?
(2S)-2-amino-3-cyclohexyl-1-phenylpropan-1-one has a molecular weight of 231.34 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-cyclohexyl-1-phenylpropan-1-one is sourced from PubChem (CID 101260297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).