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

C13H16ClNO2 — CID 135034218

IUPAC2-(2-chlorophenyl)-2-[hydroxy(methyl)amino]cyclohexan-1-one
SMILESCN(O)C1(c2ccccc2Cl)CCCCC1=O
InChIInChI=1S/C13H16ClNO2/c1-15(17)13(9-5-4-8-12(13)16)10-6-2-3-7-11(10)14/h2-3,6-7,17H,4-5,8-9H2,1H3
InChIKeyBXELSWCQLKOZCO-UHFFFAOYSA-N
MW253.73 g/mol
LogP3.00
Rot. Bonds2

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

2-(2-chlorophenyl)-2-[hydroxy(methyl)amino]cyclohexan-1-one (PubChem CID 135034218) has the molecular formula C13H16ClNO2 and a molecular weight of 253.73 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-2-[hydroxy(methyl)amino]cyclohexan-1-one.

Molecular Properties

Compound Name2-(2-chlorophenyl)-2-[hydroxy(methyl)amino]cyclohexan-1-one
PubChem CID135034218
Molecular FormulaC13H16ClNO2
Molecular Weight253.73 g/mol
Exact Mass253.09
IUPAC Name2-(2-chlorophenyl)-2-[hydroxy(methyl)amino]cyclohexan-1-one
SMILESCN(O)C1(c2ccccc2Cl)CCCCC1=O
InChIInChI=1S/C13H16ClNO2/c1-15(17)13(9-5-4-8-12(13)16)10-6-2-3-7-11(10)14/h2-3,6-7,17H,4-5,8-9H2,1H3
InChIKeyBXELSWCQLKOZCO-UHFFFAOYSA-N
XLogP3.00
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.73
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-2-[hydroxy(methyl)amino]cyclohexan-1-one?
The IUPAC name of 2-(2-chlorophenyl)-2-[hydroxy(methyl)amino]cyclohexan-1-one (CID 135034218) is 2-(2-chlorophenyl)-2-[hydroxy(methyl)amino]cyclohexan-1-one.
What is the SMILES notation for 2-(2-chlorophenyl)-2-[hydroxy(methyl)amino]cyclohexan-1-one?
The canonical SMILES for 2-(2-chlorophenyl)-2-[hydroxy(methyl)amino]cyclohexan-1-one is CN(O)C1(c2ccccc2Cl)CCCCC1=O.
What is the InChIKey of 2-(2-chlorophenyl)-2-[hydroxy(methyl)amino]cyclohexan-1-one?
The InChIKey is BXELSWCQLKOZCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNO2/c1-15(17)13(9-5-4-8-12(13)16)10-6-2-3-7-11(10)14/h2-3,6-7,17H,4-5,8-9H2,1H3.
What are the key properties of 2-(2-chlorophenyl)-2-[hydroxy(methyl)amino]cyclohexan-1-one?
2-(2-chlorophenyl)-2-[hydroxy(methyl)amino]cyclohexan-1-one has a molecular weight of 253.73 g/mol, XLogP of 3.00, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-2-[hydroxy(methyl)amino]cyclohexan-1-one is sourced from PubChem (CID 135034218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).