(1S)-2,2-difluoro-1-(3-fluorophenyl)cyclohexan-1-amine;(1S)-2,2-difluoro-1-(2-methylphenyl)cyclohexan-1-amine;(1S)-2,2-difluoro-1-phenylcyclohexan-1-amine;(1R)-1-(3-fluorophenyl)-2-methylcyclohexan-1-amine;(5S)-5-(3-fluorophenyl)-1-oxaspiro[3.5]nonan-5-amine;(1R)-2-methyl-1-(2-methylphenyl)cyclohexan-1-amine;(5S)-5-(2-methylphenyl)-1-oxaspiro[3.5]nonan-5-amine;(5S)-5-phenyl-1-oxaspiro[3.5]nonan-5-amine

C107H143F9N8O3 — CID 163946358

IUPAC(1S)-2,2-difluoro-1-(3-fluorophenyl)cyclohexan-1-amine;(1S)-2,2-difluoro-1-(2-methylphenyl)cyclohexan-1-amine;(1S)-2,2-difluoro-1-phenylcyclohexan-1-amine;(1R)-1-(3-fluorophenyl)-2-methylcyclohexan-1-amine;(5S)-5-(3-fluorophenyl)-1-oxaspiro[3.5]nonan-5-amine;(1R)-2-methyl-1-(2-methylphenyl)cyclohexan-1-amine;(5S)-5-(2-methylphenyl)-1-oxaspiro[3.5]nonan-5-amine;(5S)-5-phenyl-1-oxaspiro[3.5]nonan-5-amine
SMILESCC1CCCC[C@]1(N)c1cccc(F)c1.Cc1ccccc1[C@@]1(N)CCCCC1(F)F.Cc1ccccc1[C@@]1(N)CCCCC12CCO2.Cc1ccccc1[C@@]1(N)CCCCC1C.N[C@]1(c2cccc(F)c2)CCCCC1(F)F.N[C@]1(c2cccc(F)c2)CCCCC12CCO2.N[C@]1(c2ccccc2)CCCCC1(F)F.N[C@]1(c2ccccc2)CCCCC12CCO2
InChIInChI=1S/C15H21NO.C14H18FNO.C14H19NO.C14H21N.C13H17F2N.C13H18FN.C12H14F3N.C12H15F2N/c1-12-6-2-3-7-13(12)15(16)9-5-4-8-14(15)10-11-17-14;15-12-5-3-4-11(10-12)14(16)7-2-1-6-13(14)8-9-17-13;15-14(12-6-2-1-3-7-12)9-5-4-8-13(14)10-11-16-13;1-11-7-3-4-9-13(11)14(15)10-6-5-8-12(14)2;1-10-6-2-3-7-11(10)12(16)8-4-5-9-13(12,14)15;1-10-5-2-3-8-13(10,15)11-6-4-7-12(14)9-11;13-10-5-3-4-9(8-10)11(16)6-1-2-7-12(11,14)15;13-12(14)9-5-4-8-11(12,15)10-6-2-1-3-7-10/h2-3,6-7H,4-5,8-11,16H2,1H3;3-5,10H,1-2,6-9,16H2;1-3,6-7H,4-5,8-11,15H2;3-4,7,9,12H,5-6,8,10,15H2,1-2H3;2-3,6-7H,4-5,8-9,16H2,1H3;4,6-7,9-10H,2-3,5,8,15H2,1H3;3-5,8H,1-2,6-7,16H2;1-3,6-7H,4-5,8-9,15H2/t14?,15-;2*13?,14-;12?,14-;12-;10?,13-;2*11-/m00010100/s1
InChIKeyRVKWAAXFORZMBU-WNHNUCRRSA-N
MW1760.36 g/mol
LogP24.31
Rot. Bonds8

About (1S)-2,2-difluoro-1-(3-fluorophenyl)cyclohexan-1-amine;(1S)-2,2-difluoro-1-(2-methylphenyl)cyclohexan-1-amine;(1S)-2,2-difluoro-1-phenylcyclohexan-1-amine;(1R)-1-(3-fluorophenyl)-2-methylcyclohexan-1-amine;(5S)-5-(3-fluorophenyl)-1-oxaspiro[3.5]nonan-5-amine;(1R)-2-methyl-1-(2-methylphenyl)cyclohexan-1-amine;(5S)-5-(2-methylphenyl)-1-oxaspiro[3.5]nonan-5-amine;(5S)-5-phenyl-1-oxaspiro[3.5]nonan-5-amine

(1S)-2,2-difluoro-1-(3-fluorophenyl)cyclohexan-1-amine;(1S)-2,2-difluoro-1-(2-methylphenyl)cyclohexan-1-amine;(1S)-2,2-difluoro-1-phenylcyclohexan-1-amine;(1R)-1-(3-fluorophenyl)-2-methylcyclohexan-1-amine;(5S)-5-(3-fluorophenyl)-1-oxaspiro[3.5]nonan-5-amine;(1R)-2-methyl-1-(2-methylphenyl)cyclohexan-1-amine;(5S)-5-(2-methylphenyl)-1-oxaspiro[3.5]nonan-5-amine;(5S)-5-phenyl-1-oxaspiro[3.5]nonan-5-amine (PubChem CID 163946358) has the molecular formula C107H143F9N8O3 and a molecular weight of 1760.36 g/mol. Its IUPAC name is (1S)-2,2-difluoro-1-(3-fluorophenyl)cyclohexan-1-amine;(1S)-2,2-difluoro-1-(2-methylphenyl)cyclohexan-1-amine;(1S)-2,2-difluoro-1-phenylcyclohexan-1-amine;(1R)-1-(3-fluorophenyl)-2-methylcyclohexan-1-amine;(5S)-5-(3-fluorophenyl)-1-oxaspiro[3.5]nonan-5-amine;(1R)-2-methyl-1-(2-methylphenyl)cyclohexan-1-amine;(5S)-5-(2-methylphenyl)-1-oxaspiro[3.5]nonan-5-amine;(5S)-5-phenyl-1-oxaspiro[3.5]nonan-5-amine.

Molecular Properties

Compound Name(1S)-2,2-difluoro-1-(3-fluorophenyl)cyclohexan-1-amine;(1S)-2,2-difluoro-1-(2-methylphenyl)cyclohexan-1-amine;(1S)-2,2-difluoro-1-phenylcyclohexan-1-amine;(1R)-1-(3-fluorophenyl)-2-methylcyclohexan-1-amine;(5S)-5-(3-fluorophenyl)-1-oxaspiro[3.5]nonan-5-amine;(1R)-2-methyl-1-(2-methylphenyl)cyclohexan-1-amine;(5S)-5-(2-methylphenyl)-1-oxaspiro[3.5]nonan-5-amine;(5S)-5-phenyl-1-oxaspiro[3.5]nonan-5-amine
PubChem CID163946358
Molecular FormulaC107H143F9N8O3
Molecular Weight1760.36 g/mol
Exact Mass1759.11
IUPAC Name(1S)-2,2-difluoro-1-(3-fluorophenyl)cyclohexan-1-amine;(1S)-2,2-difluoro-1-(2-methylphenyl)cyclohexan-1-amine;(1S)-2,2-difluoro-1-phenylcyclohexan-1-amine;(1R)-1-(3-fluorophenyl)-2-methylcyclohexan-1-amine;(5S)-5-(3-fluorophenyl)-1-oxaspiro[3.5]nonan-5-amine;(1R)-2-methyl-1-(2-methylphenyl)cyclohexan-1-amine;(5S)-5-(2-methylphenyl)-1-oxaspiro[3.5]nonan-5-amine;(5S)-5-phenyl-1-oxaspiro[3.5]nonan-5-amine
SMILESCC1CCCC[C@]1(N)c1cccc(F)c1.Cc1ccccc1[C@@]1(N)CCCCC1(F)F.Cc1ccccc1[C@@]1(N)CCCCC12CCO2.Cc1ccccc1[C@@]1(N)CCCCC1C.N[C@]1(c2cccc(F)c2)CCCCC1(F)F.N[C@]1(c2cccc(F)c2)CCCCC12CCO2.N[C@]1(c2ccccc2)CCCCC1(F)F.N[C@]1(c2ccccc2)CCCCC12CCO2
InChIInChI=1S/C15H21NO.C14H18FNO.C14H19NO.C14H21N.C13H17F2N.C13H18FN.C12H14F3N.C12H15F2N/c1-12-6-2-3-7-13(12)15(16)9-5-4-8-14(15)10-11-17-14;15-12-5-3-4-11(10-12)14(16)7-2-1-6-13(14)8-9-17-13;15-14(12-6-2-1-3-7-12)9-5-4-8-13(14)10-11-16-13;1-11-7-3-4-9-13(11)14(15)10-6-5-8-12(14)2;1-10-6-2-3-7-11(10)12(16)8-4-5-9-13(12,14)15;1-10-5-2-3-8-13(10,15)11-6-4-7-12(14)9-11;13-10-5-3-4-9(8-10)11(16)6-1-2-7-12(11,14)15;13-12(14)9-5-4-8-11(12,15)10-6-2-1-3-7-10/h2-3,6-7H,4-5,8-11,16H2,1H3;3-5,10H,1-2,6-9,16H2;1-3,6-7H,4-5,8-11,15H2;3-4,7,9,12H,5-6,8,10,15H2,1-2H3;2-3,6-7H,4-5,8-9,16H2,1H3;4,6-7,9-10H,2-3,5,8,15H2,1H3;3-5,8H,1-2,6-7,16H2;1-3,6-7H,4-5,8-9,15H2/t14?,15-;2*13?,14-;12?,14-;12-;10?,13-;2*11-/m00010100/s1
InChIKeyRVKWAAXFORZMBU-WNHNUCRRSA-N
XLogP24.31
TPSA235.85 Ų
H-Bond Donors8
H-Bond Acceptors11
Rotatable Bonds8
Heavy Atoms127
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001760.36
LogP ≤ 524.31
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1011

Analyze (1S)-2,2-difluoro-1-(3-fluorophenyl)cyclohexan-1-amine;(1S)-2,2-difluoro-1-(2-methylphenyl)cyclohexan-1-amine;(1S)-2,2-difluoro-1-phenylcyclohexan-1-amine;(1R)-1-(3-fluorophenyl)-2-methylcyclohexan-1-amine;(5S)-5-(3-fluorophenyl)-1-oxaspiro[3.5]nonan-5-amine;(1R)-2-methyl-1-(2-methylphenyl)cyclohexan-1-amine;(5S)-5-(2-methylphenyl)-1-oxaspiro[3.5]nonan-5-amine;(5S)-5-phenyl-1-oxaspiro[3.5]nonan-5-amine with MolForge

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Related Compounds

(1R)-2-methyl-1-(2-methylphenyl)cyclohexan-1-amine
CID 156552436
1-(2,4-difluorophenyl)-2-methylcyclohexan-1-amine
CID 62802200
1-(3,5-dimethylphenyl)-2-methylcyclohexan-1-amine
CID 60919060
2-tert-butyl-1-(2-methylphenyl)cyclohexan-1-amine
CID 54918914
1-(4-fluorophenyl)-2-methylcyclopentan-1-amine
CID 79679805
1-(3-methoxyphenyl)-2-methylcyclopentan-1-amine
CID 79679338
(1R)-1-(3-fluorophenyl)-N,2-dimethylcyclohexane-1-carbonitrilium
CID 163652523
2-methyl-1-[4-(trifluoromethyl)phenyl]cyclohexan-1-amine
CID 62788683
cis-(1S,2S)-2-methyl-1-(2-methylphenyl)cyclohexan-1-ol
CID 21153344
1-(2-methoxyphenyl)-2-methylcyclopentan-1-amine
CID 79680080
1-(4-fluoro-2-methylphenyl)-2,4-dimethylcyclohexan-1-amine
CID 64776596
(1S)-N-ethyl-2-methyl-1-(2-methylphenyl)cyclohexan-1-amine
CID 156552487

Frequently Asked Questions

What is the IUPAC name of (1S)-2,2-difluoro-1-(3-fluorophenyl)cyclohexan-1-amine;(1S)-2,2-difluoro-1-(2-methylphenyl)cyclohexan-1-amine;(1S)-2,2-difluoro-1-phenylcyclohexan-1-amine;(1R)-1-(3-fluorophenyl)-2-methylcyclohexan-1-amine;(5S)-5-(3-fluorophenyl)-1-oxaspiro[3.5]nonan-5-amine;(1R)-2-methyl-1-(2-methylphenyl)cyclohexan-1-amine;(5S)-5-(2-methylphenyl)-1-oxaspiro[3.5]nonan-5-amine;(5S)-5-phenyl-1-oxaspiro[3.5]nonan-5-amine?
The IUPAC name of (1S)-2,2-difluoro-1-(3-fluorophenyl)cyclohexan-1-amine;(1S)-2,2-difluoro-1-(2-methylphenyl)cyclohexan-1-amine;(1S)-2,2-difluoro-1-phenylcyclohexan-1-amine;(1R)-1-(3-fluorophenyl)-2-methylcyclohexan-1-amine;(5S)-5-(3-fluorophenyl)-1-oxaspiro[3.5]nonan-5-amine;(1R)-2-methyl-1-(2-methylphenyl)cyclohexan-1-amine;(5S)-5-(2-methylphenyl)-1-oxaspiro[3.5]nonan-5-amine;(5S)-5-phenyl-1-oxaspiro[3.5]nonan-5-amine (CID 163946358) is (1S)-2,2-difluoro-1-(3-fluorophenyl)cyclohexan-1-amine;(1S)-2,2-difluoro-1-(2-methylphenyl)cyclohexan-1-amine;(1S)-2,2-difluoro-1-phenylcyclohexan-1-amine;(1R)-1-(3-fluorophenyl)-2-methylcyclohexan-1-amine;(5S)-5-(3-fluorophenyl)-1-oxaspiro[3.5]nonan-5-amine;(1R)-2-methyl-1-(2-methylphenyl)cyclohexan-1-amine;(5S)-5-(2-methylphenyl)-1-oxaspiro[3.5]nonan-5-amine;(5S)-5-phenyl-1-oxaspiro[3.5]nonan-5-amine.
What is the SMILES notation for (1S)-2,2-difluoro-1-(3-fluorophenyl)cyclohexan-1-amine;(1S)-2,2-difluoro-1-(2-methylphenyl)cyclohexan-1-amine;(1S)-2,2-difluoro-1-phenylcyclohexan-1-amine;(1R)-1-(3-fluorophenyl)-2-methylcyclohexan-1-amine;(5S)-5-(3-fluorophenyl)-1-oxaspiro[3.5]nonan-5-amine;(1R)-2-methyl-1-(2-methylphenyl)cyclohexan-1-amine;(5S)-5-(2-methylphenyl)-1-oxaspiro[3.5]nonan-5-amine;(5S)-5-phenyl-1-oxaspiro[3.5]nonan-5-amine?
The canonical SMILES for (1S)-2,2-difluoro-1-(3-fluorophenyl)cyclohexan-1-amine;(1S)-2,2-difluoro-1-(2-methylphenyl)cyclohexan-1-amine;(1S)-2,2-difluoro-1-phenylcyclohexan-1-amine;(1R)-1-(3-fluorophenyl)-2-methylcyclohexan-1-amine;(5S)-5-(3-fluorophenyl)-1-oxaspiro[3.5]nonan-5-amine;(1R)-2-methyl-1-(2-methylphenyl)cyclohexan-1-amine;(5S)-5-(2-methylphenyl)-1-oxaspiro[3.5]nonan-5-amine;(5S)-5-phenyl-1-oxaspiro[3.5]nonan-5-amine is CC1CCCC[C@]1(N)c1cccc(F)c1.Cc1ccccc1[C@@]1(N)CCCCC1(F)F.Cc1ccccc1[C@@]1(N)CCCCC12CCO2.Cc1ccccc1[C@@]1(N)CCCCC1C.N[C@]1(c2cccc(F)c2)CCCCC1(F)F.N[C@]1(c2cccc(F)c2)CCCCC12CCO2.N[C@]1(c2ccccc2)CCCCC1(F)F.N[C@]1(c2ccccc2)CCCCC12CCO2.
What is the InChIKey of (1S)-2,2-difluoro-1-(3-fluorophenyl)cyclohexan-1-amine;(1S)-2,2-difluoro-1-(2-methylphenyl)cyclohexan-1-amine;(1S)-2,2-difluoro-1-phenylcyclohexan-1-amine;(1R)-1-(3-fluorophenyl)-2-methylcyclohexan-1-amine;(5S)-5-(3-fluorophenyl)-1-oxaspiro[3.5]nonan-5-amine;(1R)-2-methyl-1-(2-methylphenyl)cyclohexan-1-amine;(5S)-5-(2-methylphenyl)-1-oxaspiro[3.5]nonan-5-amine;(5S)-5-phenyl-1-oxaspiro[3.5]nonan-5-amine?
The InChIKey is RVKWAAXFORZMBU-WNHNUCRRSA-N. The full InChI is InChI=1S/C15H21NO.C14H18FNO.C14H19NO.C14H21N.C13H17F2N.C13H18FN.C12H14F3N.C12H15F2N/c1-12-6-2-3-7-13(12)15(16)9-5-4-8-14(15)10-11-17-14;15-12-5-3-4-11(10-12)14(16)7-2-1-6-13(14)8-9-17-13;15-14(12-6-2-1-3-7-12)9-5-4-8-13(14)10-11-16-13;1-11-7-3-4-9-13(11)14(15)10-6-5-8-12(14)2;1-10-6-2-3-7-11(10)12(16)8-4-5-9-13(12,14)15;1-10-5-2-3-8-13(10,15)11-6-4-7-12(14)9-11;13-10-5-3-4-9(8-10)11(16)6-1-2-7-12(11,14)15;13-12(14)9-5-4-8-11(12,15)10-6-2-1-3-7-10/h2-3,6-7H,4-5,8-11,16H2,1H3;3-5,10H,1-2,6-9,16H2;1-3,6-7H,4-5,8-11,15H2;3-4,7,9,12H,5-6,8,10,15H2,1-2H3;2-3,6-7H,4-5,8-9,16H2,1H3;4,6-7,9-10H,2-3,5,8,15H2,1H3;3-5,8H,1-2,6-7,16H2;1-3,6-7H,4-5,8-9,15H2/t14?,15-;2*13?,14-;12?,14-;12-;10?,13-;2*11-/m00010100/s1.
What are the key properties of (1S)-2,2-difluoro-1-(3-fluorophenyl)cyclohexan-1-amine;(1S)-2,2-difluoro-1-(2-methylphenyl)cyclohexan-1-amine;(1S)-2,2-difluoro-1-phenylcyclohexan-1-amine;(1R)-1-(3-fluorophenyl)-2-methylcyclohexan-1-amine;(5S)-5-(3-fluorophenyl)-1-oxaspiro[3.5]nonan-5-amine;(1R)-2-methyl-1-(2-methylphenyl)cyclohexan-1-amine;(5S)-5-(2-methylphenyl)-1-oxaspiro[3.5]nonan-5-amine;(5S)-5-phenyl-1-oxaspiro[3.5]nonan-5-amine?
(1S)-2,2-difluoro-1-(3-fluorophenyl)cyclohexan-1-amine;(1S)-2,2-difluoro-1-(2-methylphenyl)cyclohexan-1-amine;(1S)-2,2-difluoro-1-phenylcyclohexan-1-amine;(1R)-1-(3-fluorophenyl)-2-methylcyclohexan-1-amine;(5S)-5-(3-fluorophenyl)-1-oxaspiro[3.5]nonan-5-amine;(1R)-2-methyl-1-(2-methylphenyl)cyclohexan-1-amine;(5S)-5-(2-methylphenyl)-1-oxaspiro[3.5]nonan-5-amine;(5S)-5-phenyl-1-oxaspiro[3.5]nonan-5-amine has a molecular weight of 1760.36 g/mol, XLogP of 24.31, 8 rotatable bonds, 8 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2,2-difluoro-1-(3-fluorophenyl)cyclohexan-1-amine;(1S)-2,2-difluoro-1-(2-methylphenyl)cyclohexan-1-amine;(1S)-2,2-difluoro-1-phenylcyclohexan-1-amine;(1R)-1-(3-fluorophenyl)-2-methylcyclohexan-1-amine;(5S)-5-(3-fluorophenyl)-1-oxaspiro[3.5]nonan-5-amine;(1R)-2-methyl-1-(2-methylphenyl)cyclohexan-1-amine;(5S)-5-(2-methylphenyl)-1-oxaspiro[3.5]nonan-5-amine;(5S)-5-phenyl-1-oxaspiro[3.5]nonan-5-amine is sourced from PubChem (CID 163946358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).