2-amino-1-cyclohexyl-2-phenylethanone

C14H19NO — CID 116551119

IUPAC2-amino-1-cyclohexyl-2-phenylethanone
SMILESNC(C(=O)C1CCCCC1)c1ccccc1
InChIInChI=1S/C14H19NO/c15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12/h1,3-4,7-8,12-13H,2,5-6,9-10,15H2
InChIKeyUEPICMFITIOFSG-UHFFFAOYSA-N
MW217.31 g/mol
LogP2.84
Rot. Bonds3

About 2-amino-1-cyclohexyl-2-phenylethanone

2-amino-1-cyclohexyl-2-phenylethanone (PubChem CID 116551119) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is 2-amino-1-cyclohexyl-2-phenylethanone.

Molecular Properties

Compound Name2-amino-1-cyclohexyl-2-phenylethanone
PubChem CID116551119
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name2-amino-1-cyclohexyl-2-phenylethanone
SMILESNC(C(=O)C1CCCCC1)c1ccccc1
InChIInChI=1S/C14H19NO/c15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12/h1,3-4,7-8,12-13H,2,5-6,9-10,15H2
InChIKeyUEPICMFITIOFSG-UHFFFAOYSA-N
XLogP2.84
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-1-cyclohexyl-2-phenylpropan-1-one
CID 138970657
cyclohexanecarboxylic acid;(1R)-1-phenylethanamine
CID 129012028
(2R)-2-amino-N-cycloheptyl-2-phenylacetamide
CID 61148121
1-cyclohexyl-3-hydroxy-2-phenylpropan-1-one
CID 171934096
2-amino-1-cyclooctyl-3-phenylpropan-1-one
CID 139435291
3-cyclohexyl-3-oxo-2-phenylpropanenitrile
CID 43156648
2-amino-1-(6-oxaspiro[4.5]decan-9-yl)-2-phenylethanone
CID 116551165
(2S)-2-amino-1-(azocan-1-yl)-2-phenylethanone
CID 28801220
2-amino-1-(2-methylpiperidin-1-yl)-2-phenylethanone
CID 24694891
(2R)-2-amino-N-cyclohexyl-N-ethyl-2-phenylacetamide
CID 61148081
(2S)-2-amino-N-[(1R)-1-cycloheptylethyl]-2-phenylacetamide
CID 104898224
(2R)-2-amino-N-[(1R)-1-cyclohexylethyl]-2-phenylacetamide
CID 81385705

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-cyclohexyl-2-phenylethanone?
The IUPAC name of 2-amino-1-cyclohexyl-2-phenylethanone (CID 116551119) is 2-amino-1-cyclohexyl-2-phenylethanone.
What is the SMILES notation for 2-amino-1-cyclohexyl-2-phenylethanone?
The canonical SMILES for 2-amino-1-cyclohexyl-2-phenylethanone is NC(C(=O)C1CCCCC1)c1ccccc1.
What is the InChIKey of 2-amino-1-cyclohexyl-2-phenylethanone?
The InChIKey is UEPICMFITIOFSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12/h1,3-4,7-8,12-13H,2,5-6,9-10,15H2.
What are the key properties of 2-amino-1-cyclohexyl-2-phenylethanone?
2-amino-1-cyclohexyl-2-phenylethanone has a molecular weight of 217.31 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-cyclohexyl-2-phenylethanone is sourced from PubChem (CID 116551119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).