(2R)-2-(methylamino)-2-(2-methylphenyl)cyclohexan-1-one;hydrochloride

C14H20ClNO — CID 155970795

IUPAC(2R)-2-(methylamino)-2-(2-methylphenyl)cyclohexan-1-one;hydrochloride
SMILESCN[C@@]1(c2ccccc2C)CCCCC1=O.Cl
InChIInChI=1S/C14H19NO.ClH/c1-11-7-3-4-8-12(11)14(15-2)10-6-5-9-13(14)16;/h3-4,7-8,15H,5-6,9-10H2,1-2H3;1H/t14-;/m1./s1
InChIKeyMDYDQCIKCGHQLM-PFEQFJNWSA-N
MW253.77 g/mol
LogP2.97
Rot. Bonds2

About (2R)-2-(methylamino)-2-(2-methylphenyl)cyclohexan-1-one;hydrochloride

(2R)-2-(methylamino)-2-(2-methylphenyl)cyclohexan-1-one;hydrochloride (PubChem CID 155970795) has the molecular formula C14H20ClNO and a molecular weight of 253.77 g/mol. Its IUPAC name is (2R)-2-(methylamino)-2-(2-methylphenyl)cyclohexan-1-one;hydrochloride.

Molecular Properties

Compound Name(2R)-2-(methylamino)-2-(2-methylphenyl)cyclohexan-1-one;hydrochloride
PubChem CID155970795
Molecular FormulaC14H20ClNO
Molecular Weight253.77 g/mol
Exact Mass253.12
IUPAC Name(2R)-2-(methylamino)-2-(2-methylphenyl)cyclohexan-1-one;hydrochloride
SMILESCN[C@@]1(c2ccccc2C)CCCCC1=O.Cl
InChIInChI=1S/C14H19NO.ClH/c1-11-7-3-4-8-12(11)14(15-2)10-6-5-9-13(14)16;/h3-4,7-8,15H,5-6,9-10H2,1-2H3;1H/t14-;/m1./s1
InChIKeyMDYDQCIKCGHQLM-PFEQFJNWSA-N
XLogP2.97
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.77
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(methylamino)-2-(2-methylphenyl)cyclohexan-1-one;hydrochloride?
The IUPAC name of (2R)-2-(methylamino)-2-(2-methylphenyl)cyclohexan-1-one;hydrochloride (CID 155970795) is (2R)-2-(methylamino)-2-(2-methylphenyl)cyclohexan-1-one;hydrochloride.
What is the SMILES notation for (2R)-2-(methylamino)-2-(2-methylphenyl)cyclohexan-1-one;hydrochloride?
The canonical SMILES for (2R)-2-(methylamino)-2-(2-methylphenyl)cyclohexan-1-one;hydrochloride is CN[C@@]1(c2ccccc2C)CCCCC1=O.Cl.
What is the InChIKey of (2R)-2-(methylamino)-2-(2-methylphenyl)cyclohexan-1-one;hydrochloride?
The InChIKey is MDYDQCIKCGHQLM-PFEQFJNWSA-N. The full InChI is InChI=1S/C14H19NO.ClH/c1-11-7-3-4-8-12(11)14(15-2)10-6-5-9-13(14)16;/h3-4,7-8,15H,5-6,9-10H2,1-2H3;1H/t14-;/m1./s1.
What are the key properties of (2R)-2-(methylamino)-2-(2-methylphenyl)cyclohexan-1-one;hydrochloride?
(2R)-2-(methylamino)-2-(2-methylphenyl)cyclohexan-1-one;hydrochloride has a molecular weight of 253.77 g/mol, XLogP of 2.97, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(methylamino)-2-(2-methylphenyl)cyclohexan-1-one;hydrochloride is sourced from PubChem (CID 155970795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).