2-amino-1-cyclohexylethanol;(2-amino-1-cyclohexylethyl) 2-[2-(2,6-dichloroanilino)phenyl]acetate;tert-butyl N-(2-cyclohexyl-2-hydroxyethyl)carbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;[1-cyclohexyl-2-(methanethioylamino)ethyl] 2-[2-(2,6-dichloroanilino)phenyl]acetate;[1-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl] 2-[2-(2,6-dichloroanilino)phenyl]acetate;deuterioethane;methane;tritiomethane;hydrochloride

C108H165Cl7N8O17S — CID 160510499

IUPAC2-amino-1-cyclohexylethanol;(2-amino-1-cyclohexylethyl) 2-[2-(2,6-dichloroanilino)phenyl]acetate;tert-butyl N-(2-cyclohexyl-2-hydroxyethyl)carbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;[1-cyclohexyl-2-(methanethioylamino)ethyl] 2-[2-(2,6-dichloroanilino)phenyl]acetate;[1-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl] 2-[2-(2,6-dichloroanilino)phenyl]acetate;deuterioethane;methane;tritiomethane;hydrochloride
SMILESC.C.CC(C)(C)OC(=O)NCC(O)C1CCCCC1.CC(C)(C)OC(=O)NCC(OC(=O)Cc1ccccc1Nc1c(Cl)cccc1Cl)C1CCCCC1.CC(C)(C)OC(=O)OC(=O)OC(C)(C)C.Cl.NCC(O)C1CCCCC1.NCC(OC(=O)Cc1ccccc1Nc1c(Cl)cccc1Cl)C1CCCCC1.O=C(Cc1ccccc1Nc1c(Cl)cccc1Cl)OC(CNC=S)C1CCCCC1.[2H]CC.[3H]C
InChIInChI=1S/C27H34Cl2N2O4.C23H26Cl2N2O2S.C22H26Cl2N2O2.C13H25NO3.C10H18O5.C8H17NO.C2H6.3CH4.ClH/c1-27(2,3)35-26(33)30-17-23(18-10-5-4-6-11-18)34-24(32)16-19-12-7-8-15-22(19)31-25-20(28)13-9-14-21(25)29;24-18-10-6-11-19(25)23(18)27-20-12-5-4-9-17(20)13-22(28)29-21(14-26-15-30)16-7-2-1-3-8-16;23-17-10-6-11-18(24)22(17)26-19-12-5-4-9-16(19)13-21(27)28-20(14-25)15-7-2-1-3-8-15;1-13(2,3)17-12(16)14-9-11(15)10-7-5-4-6-8-10;1-9(2,3)14-7(11)13-8(12)15-10(4,5)6;9-6-8(10)7-4-2-1-3-5-7;1-2;;;;/h7-9,12-15,18,23,31H,4-6,10-11,16-17H2,1-3H3,(H,30,33);4-6,9-12,15-16,21,27H,1-3,7-8,13-14H2,(H,26,30);4-6,9-12,15,20,26H,1-3,7-8,13-14,25H2;10-11,15H,4-9H2,1-3H3,(H,14,16);1-6H3;7-8,10H,1-6,9H2;1-2H3;3*1H4;1H/i;;;;;;1D;1T;;;
InChIKeySWZDJHRENALQCO-DRBLRBMNSA-N
MW2130.80 g/mol
LogP28.91
Rot. Bonds29

About 2-amino-1-cyclohexylethanol;(2-amino-1-cyclohexylethyl) 2-[2-(2,6-dichloroanilino)phenyl]acetate;tert-butyl N-(2-cyclohexyl-2-hydroxyethyl)carbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;[1-cyclohexyl-2-(methanethioylamino)ethyl] 2-[2-(2,6-dichloroanilino)phenyl]acetate;[1-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl] 2-[2-(2,6-dichloroanilino)phenyl]acetate;deuterioethane;methane;tritiomethane;hydrochloride

2-amino-1-cyclohexylethanol;(2-amino-1-cyclohexylethyl) 2-[2-(2,6-dichloroanilino)phenyl]acetate;tert-butyl N-(2-cyclohexyl-2-hydroxyethyl)carbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;[1-cyclohexyl-2-(methanethioylamino)ethyl] 2-[2-(2,6-dichloroanilino)phenyl]acetate;[1-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl] 2-[2-(2,6-dichloroanilino)phenyl]acetate;deuterioethane;methane;tritiomethane;hydrochloride (PubChem CID 160510499) has the molecular formula C108H165Cl7N8O17S and a molecular weight of 2130.80 g/mol. Its IUPAC name is 2-amino-1-cyclohexylethanol;(2-amino-1-cyclohexylethyl) 2-[2-(2,6-dichloroanilino)phenyl]acetate;tert-butyl N-(2-cyclohexyl-2-hydroxyethyl)carbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;[1-cyclohexyl-2-(methanethioylamino)ethyl] 2-[2-(2,6-dichloroanilino)phenyl]acetate;[1-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl] 2-[2-(2,6-dichloroanilino)phenyl]acetate;deuterioethane;methane;tritiomethane;hydrochloride.

Molecular Properties

Compound Name2-amino-1-cyclohexylethanol;(2-amino-1-cyclohexylethyl) 2-[2-(2,6-dichloroanilino)phenyl]acetate;tert-butyl N-(2-cyclohexyl-2-hydroxyethyl)carbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;[1-cyclohexyl-2-(methanethioylamino)ethyl] 2-[2-(2,6-dichloroanilino)phenyl]acetate;[1-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl] 2-[2-(2,6-dichloroanilino)phenyl]acetate;deuterioethane;methane;tritiomethane;hydrochloride
PubChem CID160510499
Molecular FormulaC108H165Cl7N8O17S
Molecular Weight2130.80 g/mol
Exact Mass2126.00
IUPAC Name2-amino-1-cyclohexylethanol;(2-amino-1-cyclohexylethyl) 2-[2-(2,6-dichloroanilino)phenyl]acetate;tert-butyl N-(2-cyclohexyl-2-hydroxyethyl)carbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;[1-cyclohexyl-2-(methanethioylamino)ethyl] 2-[2-(2,6-dichloroanilino)phenyl]acetate;[1-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl] 2-[2-(2,6-dichloroanilino)phenyl]acetate;deuterioethane;methane;tritiomethane;hydrochloride
SMILESC.C.CC(C)(C)OC(=O)NCC(O)C1CCCCC1.CC(C)(C)OC(=O)NCC(OC(=O)Cc1ccccc1Nc1c(Cl)cccc1Cl)C1CCCCC1.CC(C)(C)OC(=O)OC(=O)OC(C)(C)C.Cl.NCC(O)C1CCCCC1.NCC(OC(=O)Cc1ccccc1Nc1c(Cl)cccc1Cl)C1CCCCC1.O=C(Cc1ccccc1Nc1c(Cl)cccc1Cl)OC(CNC=S)C1CCCCC1.[2H]CC.[3H]C
InChIInChI=1S/C27H34Cl2N2O4.C23H26Cl2N2O2S.C22H26Cl2N2O2.C13H25NO3.C10H18O5.C8H17NO.C2H6.3CH4.ClH/c1-27(2,3)35-26(33)30-17-23(18-10-5-4-6-11-18)34-24(32)16-19-12-7-8-15-22(19)31-25-20(28)13-9-14-21(25)29;24-18-10-6-11-19(25)23(18)27-20-12-5-4-9-17(20)13-22(28)29-21(14-26-15-30)16-7-2-1-3-8-16;23-17-10-6-11-18(24)22(17)26-19-12-5-4-9-16(19)13-21(27)28-20(14-25)15-7-2-1-3-8-15;1-13(2,3)17-12(16)14-9-11(15)10-7-5-4-6-8-10;1-9(2,3)14-7(11)13-8(12)15-10(4,5)6;9-6-8(10)7-4-2-1-3-5-7;1-2;;;;/h7-9,12-15,18,23,31H,4-6,10-11,16-17H2,1-3H3,(H,30,33);4-6,9-12,15-16,21,27H,1-3,7-8,13-14H2,(H,26,30);4-6,9-12,15,20,26H,1-3,7-8,13-14,25H2;10-11,15H,4-9H2,1-3H3,(H,14,16);1-6H3;7-8,10H,1-6,9H2;1-2H3;3*1H4;1H/i;;;;;;1D;1T;;;
InChIKeySWZDJHRENALQCO-DRBLRBMNSA-N
XLogP28.91
TPSA358.01 Ų
H-Bond Donors10
H-Bond Acceptors23
Rotatable Bonds29
Heavy Atoms141
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002130.80
LogP ≤ 528.91
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1023

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 2-amino-1-cyclohexylethanol;(2-amino-1-cyclohexylethyl) 2-[2-(2,6-dichloroanilino)phenyl]acetate;tert-butyl N-(2-cyclohexyl-2-hydroxyethyl)carbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;[1-cyclohexyl-2-(methanethioylamino)ethyl] 2-[2-(2,6-dichloroanilino)phenyl]acetate;[1-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl] 2-[2-(2,6-dichloroanilino)phenyl]acetate;deuterioethane;methane;tritiomethane;hydrochloride with MolForge

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Related Compounds

(2-amino-1-cyclohexylethyl) 2-methyl-2-[4-[2-[(4-methylbenzoyl)amino]ethyl]phenoxy]propanoate;tert-butyl N-(2-cyclohexyl-2-hydroxyethyl)carbamate;2-[4-[2-[(4-chlorobenzoyl)amino]ethyl]phenoxy]-2-methylpropanoic acid;[1-cyclohexyl-2-(methanethioylamino)ethyl] 2-[4-[2-[(4-chlorobenzoyl)amino]ethyl]phenoxy]-2-methylpropanoate;[1-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl] 2-[4-[2-[(4-chlorobenzoyl)amino]ethyl]phenoxy]-2-methylpropanoate;molecular hydrogen;hydrochloride
CID 158771430
[(1R)-1-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl] benzoate
CID 129389441
1-[(2-aminoacetyl)amino]propan-2-yl 2-[2-(2,6-dichloroanilino)phenyl]acetate;1-aminopropan-2-ol;1-(butanoylamino)propan-2-yl 2-[2-(2,6-dichloroanilino)phenyl]acetate;tert-butyl 4-[2-[2-[2-(2,6-dichloroanilino)phenyl]acetyl]oxypropylamino]-4-oxobutanoate;2-[2-(2,6-dichloroanilino)phenyl]acetic acid;4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid;hydrochloride
CID 157207946
tert-butyl N-(2-cyclobutyl-2-hydroxyethyl)carbamate
CID 116861144
tert-butyl N-[[2-[(cyclohexylamino)methyl]phenyl]methyl]carbamate
CID 103698918
cesium [2-[2-[2-(2,6-dichloroanilino)phenyl]acetyl]oxy-3,3-dimethylbutyl]azanide
CID 144772765
CID 158403524
CID 158403524
2-[[cyclohexyl(nitrososulfanyl)methyl]-methylamino]propyl 2-[2-(2,6-dichloroanilino)phenyl]acetate;nitric acid
CID 10145064
1-aminoethanol;2-[2-(2,6-dichloroanilino)phenyl]acetic acid;hydrochloride
CID 86623054
2-(2-aminoethoxy)ethyl 2-[2-(2,6-dichloroanilino)phenyl]acetate;hydrochloride
CID 25230838
tert-butyl N-[(3S)-3-cyclohexyl-3-hydroxypropyl]carbamate
CID 129387440
(2-methoxy-2-oxoethyl) 2-[2-(2,6-dichloroanilino)phenyl]acetate
CID 46783545

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-cyclohexylethanol;(2-amino-1-cyclohexylethyl) 2-[2-(2,6-dichloroanilino)phenyl]acetate;tert-butyl N-(2-cyclohexyl-2-hydroxyethyl)carbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;[1-cyclohexyl-2-(methanethioylamino)ethyl] 2-[2-(2,6-dichloroanilino)phenyl]acetate;[1-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl] 2-[2-(2,6-dichloroanilino)phenyl]acetate;deuterioethane;methane;tritiomethane;hydrochloride?
The IUPAC name of 2-amino-1-cyclohexylethanol;(2-amino-1-cyclohexylethyl) 2-[2-(2,6-dichloroanilino)phenyl]acetate;tert-butyl N-(2-cyclohexyl-2-hydroxyethyl)carbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;[1-cyclohexyl-2-(methanethioylamino)ethyl] 2-[2-(2,6-dichloroanilino)phenyl]acetate;[1-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl] 2-[2-(2,6-dichloroanilino)phenyl]acetate;deuterioethane;methane;tritiomethane;hydrochloride (CID 160510499) is 2-amino-1-cyclohexylethanol;(2-amino-1-cyclohexylethyl) 2-[2-(2,6-dichloroanilino)phenyl]acetate;tert-butyl N-(2-cyclohexyl-2-hydroxyethyl)carbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;[1-cyclohexyl-2-(methanethioylamino)ethyl] 2-[2-(2,6-dichloroanilino)phenyl]acetate;[1-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl] 2-[2-(2,6-dichloroanilino)phenyl]acetate;deuterioethane;methane;tritiomethane;hydrochloride.
What is the SMILES notation for 2-amino-1-cyclohexylethanol;(2-amino-1-cyclohexylethyl) 2-[2-(2,6-dichloroanilino)phenyl]acetate;tert-butyl N-(2-cyclohexyl-2-hydroxyethyl)carbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;[1-cyclohexyl-2-(methanethioylamino)ethyl] 2-[2-(2,6-dichloroanilino)phenyl]acetate;[1-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl] 2-[2-(2,6-dichloroanilino)phenyl]acetate;deuterioethane;methane;tritiomethane;hydrochloride?
The canonical SMILES for 2-amino-1-cyclohexylethanol;(2-amino-1-cyclohexylethyl) 2-[2-(2,6-dichloroanilino)phenyl]acetate;tert-butyl N-(2-cyclohexyl-2-hydroxyethyl)carbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;[1-cyclohexyl-2-(methanethioylamino)ethyl] 2-[2-(2,6-dichloroanilino)phenyl]acetate;[1-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl] 2-[2-(2,6-dichloroanilino)phenyl]acetate;deuterioethane;methane;tritiomethane;hydrochloride is C.C.CC(C)(C)OC(=O)NCC(O)C1CCCCC1.CC(C)(C)OC(=O)NCC(OC(=O)Cc1ccccc1Nc1c(Cl)cccc1Cl)C1CCCCC1.CC(C)(C)OC(=O)OC(=O)OC(C)(C)C.Cl.NCC(O)C1CCCCC1.NCC(OC(=O)Cc1ccccc1Nc1c(Cl)cccc1Cl)C1CCCCC1.O=C(Cc1ccccc1Nc1c(Cl)cccc1Cl)OC(CNC=S)C1CCCCC1.[2H]CC.[3H]C.
What is the InChIKey of 2-amino-1-cyclohexylethanol;(2-amino-1-cyclohexylethyl) 2-[2-(2,6-dichloroanilino)phenyl]acetate;tert-butyl N-(2-cyclohexyl-2-hydroxyethyl)carbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;[1-cyclohexyl-2-(methanethioylamino)ethyl] 2-[2-(2,6-dichloroanilino)phenyl]acetate;[1-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl] 2-[2-(2,6-dichloroanilino)phenyl]acetate;deuterioethane;methane;tritiomethane;hydrochloride?
The InChIKey is SWZDJHRENALQCO-DRBLRBMNSA-N. The full InChI is InChI=1S/C27H34Cl2N2O4.C23H26Cl2N2O2S.C22H26Cl2N2O2.C13H25NO3.C10H18O5.C8H17NO.C2H6.3CH4.ClH/c1-27(2,3)35-26(33)30-17-23(18-10-5-4-6-11-18)34-24(32)16-19-12-7-8-15-22(19)31-25-20(28)13-9-14-21(25)29;24-18-10-6-11-19(25)23(18)27-20-12-5-4-9-17(20)13-22(28)29-21(14-26-15-30)16-7-2-1-3-8-16;23-17-10-6-11-18(24)22(17)26-19-12-5-4-9-16(19)13-21(27)28-20(14-25)15-7-2-1-3-8-15;1-13(2,3)17-12(16)14-9-11(15)10-7-5-4-6-8-10;1-9(2,3)14-7(11)13-8(12)15-10(4,5)6;9-6-8(10)7-4-2-1-3-5-7;1-2;;;;/h7-9,12-15,18,23,31H,4-6,10-11,16-17H2,1-3H3,(H,30,33);4-6,9-12,15-16,21,27H,1-3,7-8,13-14H2,(H,26,30);4-6,9-12,15,20,26H,1-3,7-8,13-14,25H2;10-11,15H,4-9H2,1-3H3,(H,14,16);1-6H3;7-8,10H,1-6,9H2;1-2H3;3*1H4;1H/i;;;;;;1D;1T;;;.
What are the key properties of 2-amino-1-cyclohexylethanol;(2-amino-1-cyclohexylethyl) 2-[2-(2,6-dichloroanilino)phenyl]acetate;tert-butyl N-(2-cyclohexyl-2-hydroxyethyl)carbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;[1-cyclohexyl-2-(methanethioylamino)ethyl] 2-[2-(2,6-dichloroanilino)phenyl]acetate;[1-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl] 2-[2-(2,6-dichloroanilino)phenyl]acetate;deuterioethane;methane;tritiomethane;hydrochloride?
2-amino-1-cyclohexylethanol;(2-amino-1-cyclohexylethyl) 2-[2-(2,6-dichloroanilino)phenyl]acetate;tert-butyl N-(2-cyclohexyl-2-hydroxyethyl)carbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;[1-cyclohexyl-2-(methanethioylamino)ethyl] 2-[2-(2,6-dichloroanilino)phenyl]acetate;[1-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl] 2-[2-(2,6-dichloroanilino)phenyl]acetate;deuterioethane;methane;tritiomethane;hydrochloride has a molecular weight of 2130.80 g/mol, XLogP of 28.91, 29 rotatable bonds, 10 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-cyclohexylethanol;(2-amino-1-cyclohexylethyl) 2-[2-(2,6-dichloroanilino)phenyl]acetate;tert-butyl N-(2-cyclohexyl-2-hydroxyethyl)carbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;[1-cyclohexyl-2-(methanethioylamino)ethyl] 2-[2-(2,6-dichloroanilino)phenyl]acetate;[1-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl] 2-[2-(2,6-dichloroanilino)phenyl]acetate;deuterioethane;methane;tritiomethane;hydrochloride is sourced from PubChem (CID 160510499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).