(2R)-2-amino-2-phenylcyclohexan-1-one;(2R)-2-(dimethylamino)-2-phenylcyclohexan-1-one;(1S)-N,2-dimethyl-1-phenylcyclohexan-1-amine;(2R)-2-(ethylamino)-2-(4-methoxyphenyl)cyclohexan-1-one;(2R)-2-(ethylamino)-2-(2-methylphenyl)cyclohexan-1-one;(2R)-2-(methylamino)-2-phenylcyclohexan-1-one;(2R)-2-phenyl-2-(propylamino)cyclohexan-1-one

C98H135N7O7 — CID 167602870

IUPAC(2R)-2-amino-2-phenylcyclohexan-1-one;(2R)-2-(dimethylamino)-2-phenylcyclohexan-1-one;(1S)-N,2-dimethyl-1-phenylcyclohexan-1-amine;(2R)-2-(ethylamino)-2-(4-methoxyphenyl)cyclohexan-1-one;(2R)-2-(ethylamino)-2-(2-methylphenyl)cyclohexan-1-one;(2R)-2-(methylamino)-2-phenylcyclohexan-1-one;(2R)-2-phenyl-2-(propylamino)cyclohexan-1-one
SMILESCCCN[C@@]1(c2ccccc2)CCCCC1=O.CCN[C@@]1(c2ccc(OC)cc2)CCCCC1=O.CCN[C@@]1(c2ccccc2C)CCCCC1=O.CN(C)[C@@]1(c2ccccc2)CCCCC1=O.CN[C@@]1(c2ccccc2)CCCCC1=O.CN[C@@]1(c2ccccc2)CCCCC1C.N[C@@]1(c2ccccc2)CCCCC1=O
InChIInChI=1S/C15H21NO2.2C15H21NO.C14H19NO.C14H21N.C13H17NO.C12H15NO/c1-3-16-15(11-5-4-6-14(15)17)12-7-9-13(18-2)10-8-12;1-3-16-15(11-7-6-10-14(15)17)13-9-5-4-8-12(13)2;1-2-12-16-15(11-7-6-10-14(15)17)13-8-4-3-5-9-13;1-15(2)14(11-7-6-10-13(14)16)12-8-4-3-5-9-12;1-12-8-6-7-11-14(12,15-2)13-9-4-3-5-10-13;1-14-13(10-6-5-9-12(13)15)11-7-3-2-4-8-11;13-12(9-5-4-8-11(12)14)10-6-2-1-3-7-10/h7-10,16H,3-6,11H2,1-2H3;4-5,8-9,16H,3,6-7,10-11H2,1-2H3;3-5,8-9,16H,2,6-7,10-12H2,1H3;3-5,8-9H,6-7,10-11H2,1-2H3;3-5,9-10,12,15H,6-8,11H2,1-2H3;2-4,7-8,14H,5-6,9-10H2,1H3;1-3,6-7H,4-5,8-9,13H2/t3*15-;14-;12?,14-;13-;12-/m1111011/s1
InChIKeyJZAHYZRTIIMHMV-SAXVQWRXSA-N
MW1523.20 g/mol
LogP18.74
Rot. Bonds18

About (2R)-2-amino-2-phenylcyclohexan-1-one;(2R)-2-(dimethylamino)-2-phenylcyclohexan-1-one;(1S)-N,2-dimethyl-1-phenylcyclohexan-1-amine;(2R)-2-(ethylamino)-2-(4-methoxyphenyl)cyclohexan-1-one;(2R)-2-(ethylamino)-2-(2-methylphenyl)cyclohexan-1-one;(2R)-2-(methylamino)-2-phenylcyclohexan-1-one;(2R)-2-phenyl-2-(propylamino)cyclohexan-1-one

(2R)-2-amino-2-phenylcyclohexan-1-one;(2R)-2-(dimethylamino)-2-phenylcyclohexan-1-one;(1S)-N,2-dimethyl-1-phenylcyclohexan-1-amine;(2R)-2-(ethylamino)-2-(4-methoxyphenyl)cyclohexan-1-one;(2R)-2-(ethylamino)-2-(2-methylphenyl)cyclohexan-1-one;(2R)-2-(methylamino)-2-phenylcyclohexan-1-one;(2R)-2-phenyl-2-(propylamino)cyclohexan-1-one (PubChem CID 167602870) has the molecular formula C98H135N7O7 and a molecular weight of 1523.20 g/mol. Its IUPAC name is (2R)-2-amino-2-phenylcyclohexan-1-one;(2R)-2-(dimethylamino)-2-phenylcyclohexan-1-one;(1S)-N,2-dimethyl-1-phenylcyclohexan-1-amine;(2R)-2-(ethylamino)-2-(4-methoxyphenyl)cyclohexan-1-one;(2R)-2-(ethylamino)-2-(2-methylphenyl)cyclohexan-1-one;(2R)-2-(methylamino)-2-phenylcyclohexan-1-one;(2R)-2-phenyl-2-(propylamino)cyclohexan-1-one.

Molecular Properties

Compound Name(2R)-2-amino-2-phenylcyclohexan-1-one;(2R)-2-(dimethylamino)-2-phenylcyclohexan-1-one;(1S)-N,2-dimethyl-1-phenylcyclohexan-1-amine;(2R)-2-(ethylamino)-2-(4-methoxyphenyl)cyclohexan-1-one;(2R)-2-(ethylamino)-2-(2-methylphenyl)cyclohexan-1-one;(2R)-2-(methylamino)-2-phenylcyclohexan-1-one;(2R)-2-phenyl-2-(propylamino)cyclohexan-1-one
PubChem CID167602870
Molecular FormulaC98H135N7O7
Molecular Weight1523.20 g/mol
Exact Mass1522.04
IUPAC Name(2R)-2-amino-2-phenylcyclohexan-1-one;(2R)-2-(dimethylamino)-2-phenylcyclohexan-1-one;(1S)-N,2-dimethyl-1-phenylcyclohexan-1-amine;(2R)-2-(ethylamino)-2-(4-methoxyphenyl)cyclohexan-1-one;(2R)-2-(ethylamino)-2-(2-methylphenyl)cyclohexan-1-one;(2R)-2-(methylamino)-2-phenylcyclohexan-1-one;(2R)-2-phenyl-2-(propylamino)cyclohexan-1-one
SMILESCCCN[C@@]1(c2ccccc2)CCCCC1=O.CCN[C@@]1(c2ccc(OC)cc2)CCCCC1=O.CCN[C@@]1(c2ccccc2C)CCCCC1=O.CN(C)[C@@]1(c2ccccc2)CCCCC1=O.CN[C@@]1(c2ccccc2)CCCCC1=O.CN[C@@]1(c2ccccc2)CCCCC1C.N[C@@]1(c2ccccc2)CCCCC1=O
InChIInChI=1S/C15H21NO2.2C15H21NO.C14H19NO.C14H21N.C13H17NO.C12H15NO/c1-3-16-15(11-5-4-6-14(15)17)12-7-9-13(18-2)10-8-12;1-3-16-15(11-7-6-10-14(15)17)13-9-5-4-8-12(13)2;1-2-12-16-15(11-7-6-10-14(15)17)13-8-4-3-5-9-13;1-15(2)14(11-7-6-10-13(14)16)12-8-4-3-5-9-12;1-12-8-6-7-11-14(12,15-2)13-9-4-3-5-10-13;1-14-13(10-6-5-9-12(13)15)11-7-3-2-4-8-11;13-12(9-5-4-8-11(12)14)10-6-2-1-3-7-10/h7-10,16H,3-6,11H2,1-2H3;4-5,8-9,16H,3,6-7,10-11H2,1-2H3;3-5,8-9,16H,2,6-7,10-12H2,1H3;3-5,8-9H,6-7,10-11H2,1-2H3;3-5,9-10,12,15H,6-8,11H2,1-2H3;2-4,7-8,14H,5-6,9-10H2,1H3;1-3,6-7H,4-5,8-9,13H2/t3*15-;14-;12?,14-;13-;12-/m1111011/s1
InChIKeyJZAHYZRTIIMHMV-SAXVQWRXSA-N
XLogP18.74
TPSA201.06 Ų
H-Bond Donors6
H-Bond Acceptors14
Rotatable Bonds18
Heavy Atoms112
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001523.20
LogP ≤ 518.74
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1014

Analyze (2R)-2-amino-2-phenylcyclohexan-1-one;(2R)-2-(dimethylamino)-2-phenylcyclohexan-1-one;(1S)-N,2-dimethyl-1-phenylcyclohexan-1-amine;(2R)-2-(ethylamino)-2-(4-methoxyphenyl)cyclohexan-1-one;(2R)-2-(ethylamino)-2-(2-methylphenyl)cyclohexan-1-one;(2R)-2-(methylamino)-2-phenylcyclohexan-1-one;(2R)-2-phenyl-2-(propylamino)cyclohexan-1-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-2-phenylcyclohexan-1-one;(2R)-2-(dimethylamino)-2-phenylcyclohexan-1-one;(1S)-N,2-dimethyl-1-phenylcyclohexan-1-amine;(2R)-2-(ethylamino)-2-(4-methoxyphenyl)cyclohexan-1-one;(2R)-2-(ethylamino)-2-(2-methylphenyl)cyclohexan-1-one;(2R)-2-(methylamino)-2-phenylcyclohexan-1-one;(2R)-2-phenyl-2-(propylamino)cyclohexan-1-one?
The IUPAC name of (2R)-2-amino-2-phenylcyclohexan-1-one;(2R)-2-(dimethylamino)-2-phenylcyclohexan-1-one;(1S)-N,2-dimethyl-1-phenylcyclohexan-1-amine;(2R)-2-(ethylamino)-2-(4-methoxyphenyl)cyclohexan-1-one;(2R)-2-(ethylamino)-2-(2-methylphenyl)cyclohexan-1-one;(2R)-2-(methylamino)-2-phenylcyclohexan-1-one;(2R)-2-phenyl-2-(propylamino)cyclohexan-1-one (CID 167602870) is (2R)-2-amino-2-phenylcyclohexan-1-one;(2R)-2-(dimethylamino)-2-phenylcyclohexan-1-one;(1S)-N,2-dimethyl-1-phenylcyclohexan-1-amine;(2R)-2-(ethylamino)-2-(4-methoxyphenyl)cyclohexan-1-one;(2R)-2-(ethylamino)-2-(2-methylphenyl)cyclohexan-1-one;(2R)-2-(methylamino)-2-phenylcyclohexan-1-one;(2R)-2-phenyl-2-(propylamino)cyclohexan-1-one.
What is the SMILES notation for (2R)-2-amino-2-phenylcyclohexan-1-one;(2R)-2-(dimethylamino)-2-phenylcyclohexan-1-one;(1S)-N,2-dimethyl-1-phenylcyclohexan-1-amine;(2R)-2-(ethylamino)-2-(4-methoxyphenyl)cyclohexan-1-one;(2R)-2-(ethylamino)-2-(2-methylphenyl)cyclohexan-1-one;(2R)-2-(methylamino)-2-phenylcyclohexan-1-one;(2R)-2-phenyl-2-(propylamino)cyclohexan-1-one?
The canonical SMILES for (2R)-2-amino-2-phenylcyclohexan-1-one;(2R)-2-(dimethylamino)-2-phenylcyclohexan-1-one;(1S)-N,2-dimethyl-1-phenylcyclohexan-1-amine;(2R)-2-(ethylamino)-2-(4-methoxyphenyl)cyclohexan-1-one;(2R)-2-(ethylamino)-2-(2-methylphenyl)cyclohexan-1-one;(2R)-2-(methylamino)-2-phenylcyclohexan-1-one;(2R)-2-phenyl-2-(propylamino)cyclohexan-1-one is CCCN[C@@]1(c2ccccc2)CCCCC1=O.CCN[C@@]1(c2ccc(OC)cc2)CCCCC1=O.CCN[C@@]1(c2ccccc2C)CCCCC1=O.CN(C)[C@@]1(c2ccccc2)CCCCC1=O.CN[C@@]1(c2ccccc2)CCCCC1=O.CN[C@@]1(c2ccccc2)CCCCC1C.N[C@@]1(c2ccccc2)CCCCC1=O.
What is the InChIKey of (2R)-2-amino-2-phenylcyclohexan-1-one;(2R)-2-(dimethylamino)-2-phenylcyclohexan-1-one;(1S)-N,2-dimethyl-1-phenylcyclohexan-1-amine;(2R)-2-(ethylamino)-2-(4-methoxyphenyl)cyclohexan-1-one;(2R)-2-(ethylamino)-2-(2-methylphenyl)cyclohexan-1-one;(2R)-2-(methylamino)-2-phenylcyclohexan-1-one;(2R)-2-phenyl-2-(propylamino)cyclohexan-1-one?
The InChIKey is JZAHYZRTIIMHMV-SAXVQWRXSA-N. The full InChI is InChI=1S/C15H21NO2.2C15H21NO.C14H19NO.C14H21N.C13H17NO.C12H15NO/c1-3-16-15(11-5-4-6-14(15)17)12-7-9-13(18-2)10-8-12;1-3-16-15(11-7-6-10-14(15)17)13-9-5-4-8-12(13)2;1-2-12-16-15(11-7-6-10-14(15)17)13-8-4-3-5-9-13;1-15(2)14(11-7-6-10-13(14)16)12-8-4-3-5-9-12;1-12-8-6-7-11-14(12,15-2)13-9-4-3-5-10-13;1-14-13(10-6-5-9-12(13)15)11-7-3-2-4-8-11;13-12(9-5-4-8-11(12)14)10-6-2-1-3-7-10/h7-10,16H,3-6,11H2,1-2H3;4-5,8-9,16H,3,6-7,10-11H2,1-2H3;3-5,8-9,16H,2,6-7,10-12H2,1H3;3-5,8-9H,6-7,10-11H2,1-2H3;3-5,9-10,12,15H,6-8,11H2,1-2H3;2-4,7-8,14H,5-6,9-10H2,1H3;1-3,6-7H,4-5,8-9,13H2/t3*15-;14-;12?,14-;13-;12-/m1111011/s1.
What are the key properties of (2R)-2-amino-2-phenylcyclohexan-1-one;(2R)-2-(dimethylamino)-2-phenylcyclohexan-1-one;(1S)-N,2-dimethyl-1-phenylcyclohexan-1-amine;(2R)-2-(ethylamino)-2-(4-methoxyphenyl)cyclohexan-1-one;(2R)-2-(ethylamino)-2-(2-methylphenyl)cyclohexan-1-one;(2R)-2-(methylamino)-2-phenylcyclohexan-1-one;(2R)-2-phenyl-2-(propylamino)cyclohexan-1-one?
(2R)-2-amino-2-phenylcyclohexan-1-one;(2R)-2-(dimethylamino)-2-phenylcyclohexan-1-one;(1S)-N,2-dimethyl-1-phenylcyclohexan-1-amine;(2R)-2-(ethylamino)-2-(4-methoxyphenyl)cyclohexan-1-one;(2R)-2-(ethylamino)-2-(2-methylphenyl)cyclohexan-1-one;(2R)-2-(methylamino)-2-phenylcyclohexan-1-one;(2R)-2-phenyl-2-(propylamino)cyclohexan-1-one has a molecular weight of 1523.20 g/mol, XLogP of 18.74, 18 rotatable bonds, 6 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-2-phenylcyclohexan-1-one;(2R)-2-(dimethylamino)-2-phenylcyclohexan-1-one;(1S)-N,2-dimethyl-1-phenylcyclohexan-1-amine;(2R)-2-(ethylamino)-2-(4-methoxyphenyl)cyclohexan-1-one;(2R)-2-(ethylamino)-2-(2-methylphenyl)cyclohexan-1-one;(2R)-2-(methylamino)-2-phenylcyclohexan-1-one;(2R)-2-phenyl-2-(propylamino)cyclohexan-1-one is sourced from PubChem (CID 167602870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).