2-amino-2-(2-methylphenyl)cyclohexan-1-one;2-amino-2-(3-methylphenyl)cyclohexan-1-one;2-amino-2-(4-methylphenyl)cyclohexan-1-one;2-(azetidin-1-yl)-2-phenylcyclohexan-1-one;2-(2-fluoroethylamino)-2-phenylcyclohexan-1-one;2-(2-hydroxyethylamino)-2-phenylcyclohexan-1-one;2-(methylamino)-2-(4-methylphenyl)cyclohexan-1-one;2-morpholin-4-yl-2-phenylcyclohexan-1-one

C112H147FN8O10 — CID 163888208

IUPAC2-amino-2-(2-methylphenyl)cyclohexan-1-one;2-amino-2-(3-methylphenyl)cyclohexan-1-one;2-amino-2-(4-methylphenyl)cyclohexan-1-one;2-(azetidin-1-yl)-2-phenylcyclohexan-1-one;2-(2-fluoroethylamino)-2-phenylcyclohexan-1-one;2-(2-hydroxyethylamino)-2-phenylcyclohexan-1-one;2-(methylamino)-2-(4-methylphenyl)cyclohexan-1-one;2-morpholin-4-yl-2-phenylcyclohexan-1-one
SMILESCNC1(c2ccc(C)cc2)CCCCC1=O.Cc1ccc(C2(N)CCCCC2=O)cc1.Cc1cccc(C2(N)CCCCC2=O)c1.Cc1ccccc1C1(N)CCCCC1=O.O=C1CCCCC1(NCCF)c1ccccc1.O=C1CCCCC1(NCCO)c1ccccc1.O=C1CCCCC1(c1ccccc1)N1CCC1.O=C1CCCCC1(c1ccccc1)N1CCOCC1
InChIInChI=1S/C16H21NO2.C15H19NO.C14H18FNO.C14H19NO2.C14H19NO.3C13H17NO/c18-15-8-4-5-9-16(15,14-6-2-1-3-7-14)17-10-12-19-13-11-17;17-14-9-4-5-10-15(14,16-11-6-12-16)13-7-2-1-3-8-13;15-10-11-16-14(9-5-4-8-13(14)17)12-6-2-1-3-7-12;16-11-10-15-14(9-5-4-8-13(14)17)12-6-2-1-3-7-12;1-11-6-8-12(9-7-11)14(15-2)10-4-3-5-13(14)16;1-10-5-4-6-11(9-10)13(14)8-3-2-7-12(13)15;1-10-6-2-3-7-11(10)13(14)9-5-4-8-12(13)15;1-10-5-7-11(8-6-10)13(14)9-3-2-4-12(13)15/h1-3,6-7H,4-5,8-13H2;1-3,7-8H,4-6,9-12H2;1-3,6-7,16H,4-5,8-11H2;1-3,6-7,15-16H,4-5,8-11H2;6-9,15H,3-5,10H2,1-2H3;4-6,9H,2-3,7-8,14H2,1H3;2-3,6-7H,4-5,8-9,14H2,1H3;5-8H,2-4,9,14H2,1H3
InChIKeyPZGQRCRHKUSAAY-UHFFFAOYSA-N
MW1784.45 g/mol
LogP18.71
Rot. Bonds17

About 2-amino-2-(2-methylphenyl)cyclohexan-1-one;2-amino-2-(3-methylphenyl)cyclohexan-1-one;2-amino-2-(4-methylphenyl)cyclohexan-1-one;2-(azetidin-1-yl)-2-phenylcyclohexan-1-one;2-(2-fluoroethylamino)-2-phenylcyclohexan-1-one;2-(2-hydroxyethylamino)-2-phenylcyclohexan-1-one;2-(methylamino)-2-(4-methylphenyl)cyclohexan-1-one;2-morpholin-4-yl-2-phenylcyclohexan-1-one

2-amino-2-(2-methylphenyl)cyclohexan-1-one;2-amino-2-(3-methylphenyl)cyclohexan-1-one;2-amino-2-(4-methylphenyl)cyclohexan-1-one;2-(azetidin-1-yl)-2-phenylcyclohexan-1-one;2-(2-fluoroethylamino)-2-phenylcyclohexan-1-one;2-(2-hydroxyethylamino)-2-phenylcyclohexan-1-one;2-(methylamino)-2-(4-methylphenyl)cyclohexan-1-one;2-morpholin-4-yl-2-phenylcyclohexan-1-one (PubChem CID 163888208) has the molecular formula C112H147FN8O10 and a molecular weight of 1784.45 g/mol. Its IUPAC name is 2-amino-2-(2-methylphenyl)cyclohexan-1-one;2-amino-2-(3-methylphenyl)cyclohexan-1-one;2-amino-2-(4-methylphenyl)cyclohexan-1-one;2-(azetidin-1-yl)-2-phenylcyclohexan-1-one;2-(2-fluoroethylamino)-2-phenylcyclohexan-1-one;2-(2-hydroxyethylamino)-2-phenylcyclohexan-1-one;2-(methylamino)-2-(4-methylphenyl)cyclohexan-1-one;2-morpholin-4-yl-2-phenylcyclohexan-1-one.

Molecular Properties

Compound Name2-amino-2-(2-methylphenyl)cyclohexan-1-one;2-amino-2-(3-methylphenyl)cyclohexan-1-one;2-amino-2-(4-methylphenyl)cyclohexan-1-one;2-(azetidin-1-yl)-2-phenylcyclohexan-1-one;2-(2-fluoroethylamino)-2-phenylcyclohexan-1-one;2-(2-hydroxyethylamino)-2-phenylcyclohexan-1-one;2-(methylamino)-2-(4-methylphenyl)cyclohexan-1-one;2-morpholin-4-yl-2-phenylcyclohexan-1-one
PubChem CID163888208
Molecular FormulaC112H147FN8O10
Molecular Weight1784.45 g/mol
Exact Mass1783.12
IUPAC Name2-amino-2-(2-methylphenyl)cyclohexan-1-one;2-amino-2-(3-methylphenyl)cyclohexan-1-one;2-amino-2-(4-methylphenyl)cyclohexan-1-one;2-(azetidin-1-yl)-2-phenylcyclohexan-1-one;2-(2-fluoroethylamino)-2-phenylcyclohexan-1-one;2-(2-hydroxyethylamino)-2-phenylcyclohexan-1-one;2-(methylamino)-2-(4-methylphenyl)cyclohexan-1-one;2-morpholin-4-yl-2-phenylcyclohexan-1-one
SMILESCNC1(c2ccc(C)cc2)CCCCC1=O.Cc1ccc(C2(N)CCCCC2=O)cc1.Cc1cccc(C2(N)CCCCC2=O)c1.Cc1ccccc1C1(N)CCCCC1=O.O=C1CCCCC1(NCCF)c1ccccc1.O=C1CCCCC1(NCCO)c1ccccc1.O=C1CCCCC1(c1ccccc1)N1CCC1.O=C1CCCCC1(c1ccccc1)N1CCOCC1
InChIInChI=1S/C16H21NO2.C15H19NO.C14H18FNO.C14H19NO2.C14H19NO.3C13H17NO/c18-15-8-4-5-9-16(15,14-6-2-1-3-7-14)17-10-12-19-13-11-17;17-14-9-4-5-10-15(14,16-11-6-12-16)13-7-2-1-3-8-13;15-10-11-16-14(9-5-4-8-13(14)17)12-6-2-1-3-7-12;16-11-10-15-14(9-5-4-8-13(14)17)12-6-2-1-3-7-12;1-11-6-8-12(9-7-11)14(15-2)10-4-3-5-13(14)16;1-10-5-4-6-11(9-10)13(14)8-3-2-7-12(13)15;1-10-6-2-3-7-11(10)13(14)9-5-4-8-12(13)15;1-10-5-7-11(8-6-10)13(14)9-3-2-4-12(13)15/h1-3,6-7H,4-5,8-13H2;1-3,7-8H,4-6,9-12H2;1-3,6-7,16H,4-5,8-11H2;1-3,6-7,15-16H,4-5,8-11H2;6-9,15H,3-5,10H2,1-2H3;4-6,9H,2-3,7-8,14H2,1H3;2-3,6-7H,4-5,8-9,14H2,1H3;5-8H,2-4,9,14H2,1H3
InChIKeyPZGQRCRHKUSAAY-UHFFFAOYSA-N
XLogP18.71
TPSA286.65 Ų
H-Bond Donors7
H-Bond Acceptors18
Rotatable Bonds17
Heavy Atoms131
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001784.45
LogP ≤ 518.71
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1018

Analyze 2-amino-2-(2-methylphenyl)cyclohexan-1-one;2-amino-2-(3-methylphenyl)cyclohexan-1-one;2-amino-2-(4-methylphenyl)cyclohexan-1-one;2-(azetidin-1-yl)-2-phenylcyclohexan-1-one;2-(2-fluoroethylamino)-2-phenylcyclohexan-1-one;2-(2-hydroxyethylamino)-2-phenylcyclohexan-1-one;2-(methylamino)-2-(4-methylphenyl)cyclohexan-1-one;2-morpholin-4-yl-2-phenylcyclohexan-1-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(2-methylphenyl)cyclohexan-1-one;2-amino-2-(3-methylphenyl)cyclohexan-1-one;2-amino-2-(4-methylphenyl)cyclohexan-1-one;2-(azetidin-1-yl)-2-phenylcyclohexan-1-one;2-(2-fluoroethylamino)-2-phenylcyclohexan-1-one;2-(2-hydroxyethylamino)-2-phenylcyclohexan-1-one;2-(methylamino)-2-(4-methylphenyl)cyclohexan-1-one;2-morpholin-4-yl-2-phenylcyclohexan-1-one?
The IUPAC name of 2-amino-2-(2-methylphenyl)cyclohexan-1-one;2-amino-2-(3-methylphenyl)cyclohexan-1-one;2-amino-2-(4-methylphenyl)cyclohexan-1-one;2-(azetidin-1-yl)-2-phenylcyclohexan-1-one;2-(2-fluoroethylamino)-2-phenylcyclohexan-1-one;2-(2-hydroxyethylamino)-2-phenylcyclohexan-1-one;2-(methylamino)-2-(4-methylphenyl)cyclohexan-1-one;2-morpholin-4-yl-2-phenylcyclohexan-1-one (CID 163888208) is 2-amino-2-(2-methylphenyl)cyclohexan-1-one;2-amino-2-(3-methylphenyl)cyclohexan-1-one;2-amino-2-(4-methylphenyl)cyclohexan-1-one;2-(azetidin-1-yl)-2-phenylcyclohexan-1-one;2-(2-fluoroethylamino)-2-phenylcyclohexan-1-one;2-(2-hydroxyethylamino)-2-phenylcyclohexan-1-one;2-(methylamino)-2-(4-methylphenyl)cyclohexan-1-one;2-morpholin-4-yl-2-phenylcyclohexan-1-one.
What is the SMILES notation for 2-amino-2-(2-methylphenyl)cyclohexan-1-one;2-amino-2-(3-methylphenyl)cyclohexan-1-one;2-amino-2-(4-methylphenyl)cyclohexan-1-one;2-(azetidin-1-yl)-2-phenylcyclohexan-1-one;2-(2-fluoroethylamino)-2-phenylcyclohexan-1-one;2-(2-hydroxyethylamino)-2-phenylcyclohexan-1-one;2-(methylamino)-2-(4-methylphenyl)cyclohexan-1-one;2-morpholin-4-yl-2-phenylcyclohexan-1-one?
The canonical SMILES for 2-amino-2-(2-methylphenyl)cyclohexan-1-one;2-amino-2-(3-methylphenyl)cyclohexan-1-one;2-amino-2-(4-methylphenyl)cyclohexan-1-one;2-(azetidin-1-yl)-2-phenylcyclohexan-1-one;2-(2-fluoroethylamino)-2-phenylcyclohexan-1-one;2-(2-hydroxyethylamino)-2-phenylcyclohexan-1-one;2-(methylamino)-2-(4-methylphenyl)cyclohexan-1-one;2-morpholin-4-yl-2-phenylcyclohexan-1-one is CNC1(c2ccc(C)cc2)CCCCC1=O.Cc1ccc(C2(N)CCCCC2=O)cc1.Cc1cccc(C2(N)CCCCC2=O)c1.Cc1ccccc1C1(N)CCCCC1=O.O=C1CCCCC1(NCCF)c1ccccc1.O=C1CCCCC1(NCCO)c1ccccc1.O=C1CCCCC1(c1ccccc1)N1CCC1.O=C1CCCCC1(c1ccccc1)N1CCOCC1.
What is the InChIKey of 2-amino-2-(2-methylphenyl)cyclohexan-1-one;2-amino-2-(3-methylphenyl)cyclohexan-1-one;2-amino-2-(4-methylphenyl)cyclohexan-1-one;2-(azetidin-1-yl)-2-phenylcyclohexan-1-one;2-(2-fluoroethylamino)-2-phenylcyclohexan-1-one;2-(2-hydroxyethylamino)-2-phenylcyclohexan-1-one;2-(methylamino)-2-(4-methylphenyl)cyclohexan-1-one;2-morpholin-4-yl-2-phenylcyclohexan-1-one?
The InChIKey is PZGQRCRHKUSAAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2.C15H19NO.C14H18FNO.C14H19NO2.C14H19NO.3C13H17NO/c18-15-8-4-5-9-16(15,14-6-2-1-3-7-14)17-10-12-19-13-11-17;17-14-9-4-5-10-15(14,16-11-6-12-16)13-7-2-1-3-8-13;15-10-11-16-14(9-5-4-8-13(14)17)12-6-2-1-3-7-12;16-11-10-15-14(9-5-4-8-13(14)17)12-6-2-1-3-7-12;1-11-6-8-12(9-7-11)14(15-2)10-4-3-5-13(14)16;1-10-5-4-6-11(9-10)13(14)8-3-2-7-12(13)15;1-10-6-2-3-7-11(10)13(14)9-5-4-8-12(13)15;1-10-5-7-11(8-6-10)13(14)9-3-2-4-12(13)15/h1-3,6-7H,4-5,8-13H2;1-3,7-8H,4-6,9-12H2;1-3,6-7,16H,4-5,8-11H2;1-3,6-7,15-16H,4-5,8-11H2;6-9,15H,3-5,10H2,1-2H3;4-6,9H,2-3,7-8,14H2,1H3;2-3,6-7H,4-5,8-9,14H2,1H3;5-8H,2-4,9,14H2,1H3.
What are the key properties of 2-amino-2-(2-methylphenyl)cyclohexan-1-one;2-amino-2-(3-methylphenyl)cyclohexan-1-one;2-amino-2-(4-methylphenyl)cyclohexan-1-one;2-(azetidin-1-yl)-2-phenylcyclohexan-1-one;2-(2-fluoroethylamino)-2-phenylcyclohexan-1-one;2-(2-hydroxyethylamino)-2-phenylcyclohexan-1-one;2-(methylamino)-2-(4-methylphenyl)cyclohexan-1-one;2-morpholin-4-yl-2-phenylcyclohexan-1-one?
2-amino-2-(2-methylphenyl)cyclohexan-1-one;2-amino-2-(3-methylphenyl)cyclohexan-1-one;2-amino-2-(4-methylphenyl)cyclohexan-1-one;2-(azetidin-1-yl)-2-phenylcyclohexan-1-one;2-(2-fluoroethylamino)-2-phenylcyclohexan-1-one;2-(2-hydroxyethylamino)-2-phenylcyclohexan-1-one;2-(methylamino)-2-(4-methylphenyl)cyclohexan-1-one;2-morpholin-4-yl-2-phenylcyclohexan-1-one has a molecular weight of 1784.45 g/mol, XLogP of 18.71, 17 rotatable bonds, 7 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(2-methylphenyl)cyclohexan-1-one;2-amino-2-(3-methylphenyl)cyclohexan-1-one;2-amino-2-(4-methylphenyl)cyclohexan-1-one;2-(azetidin-1-yl)-2-phenylcyclohexan-1-one;2-(2-fluoroethylamino)-2-phenylcyclohexan-1-one;2-(2-hydroxyethylamino)-2-phenylcyclohexan-1-one;2-(methylamino)-2-(4-methylphenyl)cyclohexan-1-one;2-morpholin-4-yl-2-phenylcyclohexan-1-one is sourced from PubChem (CID 163888208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).