2-(methylamino)-2-phenylcyclohexan-1-one;hydrochloride

C13H18ClNO — CID 18705340

IUPAC2-(methylamino)-2-phenylcyclohexan-1-one;hydrochloride
SMILESCNC1(c2ccccc2)CCCCC1=O.Cl
InChIInChI=1S/C13H17NO.ClH/c1-14-13(10-6-5-9-12(13)15)11-7-3-2-4-8-11;/h2-4,7-8,14H,5-6,9-10H2,1H3;1H
InChIKeyKJMDOBYGKOIRQI-UHFFFAOYSA-N
MW239.75 g/mol
LogP2.67
Rot. Bonds2

About 2-(methylamino)-2-phenylcyclohexan-1-one;hydrochloride

2-(methylamino)-2-phenylcyclohexan-1-one;hydrochloride (PubChem CID 18705340) has the molecular formula C13H18ClNO and a molecular weight of 239.75 g/mol. Its IUPAC name is 2-(methylamino)-2-phenylcyclohexan-1-one;hydrochloride.

Molecular Properties

Compound Name2-(methylamino)-2-phenylcyclohexan-1-one;hydrochloride
PubChem CID18705340
Molecular FormulaC13H18ClNO
Molecular Weight239.75 g/mol
Exact Mass239.11
IUPAC Name2-(methylamino)-2-phenylcyclohexan-1-one;hydrochloride
SMILESCNC1(c2ccccc2)CCCCC1=O.Cl
InChIInChI=1S/C13H17NO.ClH/c1-14-13(10-6-5-9-12(13)15)11-7-3-2-4-8-11;/h2-4,7-8,14H,5-6,9-10H2,1H3;1H
InChIKeyKJMDOBYGKOIRQI-UHFFFAOYSA-N
XLogP2.67
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.75
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-2-phenylcyclohexan-1-one;hydrochloride?
The IUPAC name of 2-(methylamino)-2-phenylcyclohexan-1-one;hydrochloride (CID 18705340) is 2-(methylamino)-2-phenylcyclohexan-1-one;hydrochloride.
What is the SMILES notation for 2-(methylamino)-2-phenylcyclohexan-1-one;hydrochloride?
The canonical SMILES for 2-(methylamino)-2-phenylcyclohexan-1-one;hydrochloride is CNC1(c2ccccc2)CCCCC1=O.Cl.
What is the InChIKey of 2-(methylamino)-2-phenylcyclohexan-1-one;hydrochloride?
The InChIKey is KJMDOBYGKOIRQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO.ClH/c1-14-13(10-6-5-9-12(13)15)11-7-3-2-4-8-11;/h2-4,7-8,14H,5-6,9-10H2,1H3;1H.
What are the key properties of 2-(methylamino)-2-phenylcyclohexan-1-one;hydrochloride?
2-(methylamino)-2-phenylcyclohexan-1-one;hydrochloride has a molecular weight of 239.75 g/mol, XLogP of 2.67, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-2-phenylcyclohexan-1-one;hydrochloride is sourced from PubChem (CID 18705340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).