(2R)-2-amino-2-(2-chlorophenyl)cyclohexan-1-one

C12H14ClNO — CID 10105008

IUPAC(2R)-2-amino-2-(2-chlorophenyl)cyclohexan-1-one
SMILESN[C@@]1(c2ccccc2Cl)CCCCC1=O
InChIInChI=1S/C12H14ClNO/c13-10-6-2-1-5-9(10)12(14)8-4-3-7-11(12)15/h1-2,5-6H,3-4,7-8,14H2/t12-/m1/s1
InChIKeyBEQZHFIKTBVCAU-GFCCVEGCSA-N
MW223.70 g/mol
LogP2.64
Rot. Bonds1

About (2R)-2-amino-2-(2-chlorophenyl)cyclohexan-1-one

(2R)-2-amino-2-(2-chlorophenyl)cyclohexan-1-one (PubChem CID 10105008) has the molecular formula C12H14ClNO and a molecular weight of 223.70 g/mol. Its IUPAC name is (2R)-2-amino-2-(2-chlorophenyl)cyclohexan-1-one.

Molecular Properties

Compound Name(2R)-2-amino-2-(2-chlorophenyl)cyclohexan-1-one
PubChem CID10105008
Molecular FormulaC12H14ClNO
Molecular Weight223.70 g/mol
Exact Mass223.08
IUPAC Name(2R)-2-amino-2-(2-chlorophenyl)cyclohexan-1-one
SMILESN[C@@]1(c2ccccc2Cl)CCCCC1=O
InChIInChI=1S/C12H14ClNO/c13-10-6-2-1-5-9(10)12(14)8-4-3-7-11(12)15/h1-2,5-6H,3-4,7-8,14H2/t12-/m1/s1
InChIKeyBEQZHFIKTBVCAU-GFCCVEGCSA-N
XLogP2.64
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.70
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-2-(2-chlorophenyl)cyclohexan-1-one?
The IUPAC name of (2R)-2-amino-2-(2-chlorophenyl)cyclohexan-1-one (CID 10105008) is (2R)-2-amino-2-(2-chlorophenyl)cyclohexan-1-one.
What is the SMILES notation for (2R)-2-amino-2-(2-chlorophenyl)cyclohexan-1-one?
The canonical SMILES for (2R)-2-amino-2-(2-chlorophenyl)cyclohexan-1-one is N[C@@]1(c2ccccc2Cl)CCCCC1=O.
What is the InChIKey of (2R)-2-amino-2-(2-chlorophenyl)cyclohexan-1-one?
The InChIKey is BEQZHFIKTBVCAU-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H14ClNO/c13-10-6-2-1-5-9(10)12(14)8-4-3-7-11(12)15/h1-2,5-6H,3-4,7-8,14H2/t12-/m1/s1.
What are the key properties of (2R)-2-amino-2-(2-chlorophenyl)cyclohexan-1-one?
(2R)-2-amino-2-(2-chlorophenyl)cyclohexan-1-one has a molecular weight of 223.70 g/mol, XLogP of 2.64, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-2-(2-chlorophenyl)cyclohexan-1-one is sourced from PubChem (CID 10105008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).