(2S,4S,6S)-2-amino-2-(2-chlorophenyl)-6-hydroxy-4-propan-2-ylcyclohexan-1-one

C15H20ClNO2 — CID 137472240

IUPAC(2S,4S,6S)-2-amino-2-(2-chlorophenyl)-6-hydroxy-4-propan-2-ylcyclohexan-1-one
SMILESCC(C)[C@@H]1C[C@H](O)C(=O)[C@@](N)(c2ccccc2Cl)C1
InChIInChI=1S/C15H20ClNO2/c1-9(2)10-7-13(18)14(19)15(17,8-10)11-5-3-4-6-12(11)16/h3-6,9-10,13,18H,7-8,17H2,1-2H3/t10-,13+,15+/m1/s1
InChIKeyGEALVBDYUZIWKG-DGFSRKRXSA-N
MW281.78 g/mol
LogP2.49
Rot. Bonds2

About (2S,4S,6S)-2-amino-2-(2-chlorophenyl)-6-hydroxy-4-propan-2-ylcyclohexan-1-one

(2S,4S,6S)-2-amino-2-(2-chlorophenyl)-6-hydroxy-4-propan-2-ylcyclohexan-1-one (PubChem CID 137472240) has the molecular formula C15H20ClNO2 and a molecular weight of 281.78 g/mol. Its IUPAC name is (2S,4S,6S)-2-amino-2-(2-chlorophenyl)-6-hydroxy-4-propan-2-ylcyclohexan-1-one.

Molecular Properties

Compound Name(2S,4S,6S)-2-amino-2-(2-chlorophenyl)-6-hydroxy-4-propan-2-ylcyclohexan-1-one
PubChem CID137472240
Molecular FormulaC15H20ClNO2
Molecular Weight281.78 g/mol
Exact Mass281.12
IUPAC Name(2S,4S,6S)-2-amino-2-(2-chlorophenyl)-6-hydroxy-4-propan-2-ylcyclohexan-1-one
SMILESCC(C)[C@@H]1C[C@H](O)C(=O)[C@@](N)(c2ccccc2Cl)C1
InChIInChI=1S/C15H20ClNO2/c1-9(2)10-7-13(18)14(19)15(17,8-10)11-5-3-4-6-12(11)16/h3-6,9-10,13,18H,7-8,17H2,1-2H3/t10-,13+,15+/m1/s1
InChIKeyGEALVBDYUZIWKG-DGFSRKRXSA-N
XLogP2.49
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.78
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S,4S,6S)-2-amino-2-(2-chlorophenyl)-6-hydroxy-4-propan-2-ylcyclohexan-1-one?
The IUPAC name of (2S,4S,6S)-2-amino-2-(2-chlorophenyl)-6-hydroxy-4-propan-2-ylcyclohexan-1-one (CID 137472240) is (2S,4S,6S)-2-amino-2-(2-chlorophenyl)-6-hydroxy-4-propan-2-ylcyclohexan-1-one.
What is the SMILES notation for (2S,4S,6S)-2-amino-2-(2-chlorophenyl)-6-hydroxy-4-propan-2-ylcyclohexan-1-one?
The canonical SMILES for (2S,4S,6S)-2-amino-2-(2-chlorophenyl)-6-hydroxy-4-propan-2-ylcyclohexan-1-one is CC(C)[C@@H]1C[C@H](O)C(=O)[C@@](N)(c2ccccc2Cl)C1.
What is the InChIKey of (2S,4S,6S)-2-amino-2-(2-chlorophenyl)-6-hydroxy-4-propan-2-ylcyclohexan-1-one?
The InChIKey is GEALVBDYUZIWKG-DGFSRKRXSA-N. The full InChI is InChI=1S/C15H20ClNO2/c1-9(2)10-7-13(18)14(19)15(17,8-10)11-5-3-4-6-12(11)16/h3-6,9-10,13,18H,7-8,17H2,1-2H3/t10-,13+,15+/m1/s1.
What are the key properties of (2S,4S,6S)-2-amino-2-(2-chlorophenyl)-6-hydroxy-4-propan-2-ylcyclohexan-1-one?
(2S,4S,6S)-2-amino-2-(2-chlorophenyl)-6-hydroxy-4-propan-2-ylcyclohexan-1-one has a molecular weight of 281.78 g/mol, XLogP of 2.49, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S,6S)-2-amino-2-(2-chlorophenyl)-6-hydroxy-4-propan-2-ylcyclohexan-1-one is sourced from PubChem (CID 137472240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).