adamantan-2-amine;ethyl 4-(2-adamantylmethyl)-3-aminobenzoate;ethyl 4-(2-adamantylmethyl)-3-(benzylamino)benzoate;ethyl 4-(2-adamantylmethyl)-3-(dibenzylamino)benzoate;ethyl 4-(2-adamantylmethyl)-3-nitrobenzoate;ethyl 4-(2-adamantylmethyl)-3-(pyridin-4-ylmethylamino)benzoate;ethyl 4-(2-adamantylmethyl)-3-(pyrimidin-4-ylmethylamino)benzoate;ethyl 4-chloro-3-nitrobenzoate

C171H212ClN11O18 — CID 157330578

IUPACadamantan-2-amine;ethyl 4-(2-adamantylmethyl)-3-aminobenzoate;ethyl 4-(2-adamantylmethyl)-3-(benzylamino)benzoate;ethyl 4-(2-adamantylmethyl)-3-(dibenzylamino)benzoate;ethyl 4-(2-adamantylmethyl)-3-nitrobenzoate;ethyl 4-(2-adamantylmethyl)-3-(pyridin-4-ylmethylamino)benzoate;ethyl 4-(2-adamantylmethyl)-3-(pyrimidin-4-ylmethylamino)benzoate;ethyl 4-chloro-3-nitrobenzoate
SMILESCCOC(=O)c1ccc(CC2C3CC4CC(C3)CC2C4)c(N(Cc2ccccc2)Cc2ccccc2)c1.CCOC(=O)c1ccc(CC2C3CC4CC(C3)CC2C4)c(N)c1.CCOC(=O)c1ccc(CC2C3CC4CC(C3)CC2C4)c(NCc2ccccc2)c1.CCOC(=O)c1ccc(CC2C3CC4CC(C3)CC2C4)c(NCc2ccncc2)c1.CCOC(=O)c1ccc(CC2C3CC4CC(C3)CC2C4)c(NCc2ccncn2)c1.CCOC(=O)c1ccc(CC2C3CC4CC(C3)CC2C4)c([N+](=O)[O-])c1.CCOC(=O)c1ccc(Cl)c([N+](=O)[O-])c1.NC1C2CC3CC(C2)CC1C3
InChIInChI=1S/C34H39NO2.C27H33NO2.C26H32N2O2.C25H31N3O2.C20H25NO4.C20H27NO2.C10H17N.C9H8ClNO4/c1-2-37-34(36)29-14-13-28(20-32-30-16-26-15-27(18-30)19-31(32)17-26)33(21-29)35(22-24-9-5-3-6-10-24)23-25-11-7-4-8-12-25;1-2-30-27(29)22-9-8-21(26(16-22)28-17-18-6-4-3-5-7-18)15-25-23-11-19-10-20(13-23)14-24(25)12-19;1-2-30-26(29)21-4-3-20(25(15-21)28-16-17-5-7-27-8-6-17)14-24-22-10-18-9-19(12-22)13-23(24)11-18;1-2-30-25(29)19-4-3-18(24(13-19)27-14-22-5-6-26-15-28-22)12-23-20-8-16-7-17(10-20)11-21(23)9-16;1-2-25-20(22)15-4-3-14(19(11-15)21(23)24)10-18-16-6-12-5-13(8-16)9-17(18)7-12;1-2-23-20(22)15-4-3-14(19(21)11-15)10-18-16-6-12-5-13(8-16)9-17(18)7-12;11-10-8-2-6-1-7(4-8)5-9(10)3-6;1-2-15-9(12)6-3-4-7(10)8(5-6)11(13)14/h3-14,21,26-27,30-32H,2,15-20,22-23H2,1H3;3-9,16,19-20,23-25,28H,2,10-15,17H2,1H3;3-8,15,18-19,22-24,28H,2,9-14,16H2,1H3;3-6,13,15-17,20-21,23,27H,2,7-12,14H2,1H3;3-4,11-13,16-18H,2,5-10H2,1H3;3-4,11-13,16-18H,2,5-10,21H2,1H3;6-10H,1-5,11H2;3-5H,2H2,1H3
InChIKeyBFFVGKFAZUTASU-UHFFFAOYSA-N
MW2745.09 g/mol
LogP36.78
Rot. Bonds42

About adamantan-2-amine;ethyl 4-(2-adamantylmethyl)-3-aminobenzoate;ethyl 4-(2-adamantylmethyl)-3-(benzylamino)benzoate;ethyl 4-(2-adamantylmethyl)-3-(dibenzylamino)benzoate;ethyl 4-(2-adamantylmethyl)-3-nitrobenzoate;ethyl 4-(2-adamantylmethyl)-3-(pyridin-4-ylmethylamino)benzoate;ethyl 4-(2-adamantylmethyl)-3-(pyrimidin-4-ylmethylamino)benzoate;ethyl 4-chloro-3-nitrobenzoate

adamantan-2-amine;ethyl 4-(2-adamantylmethyl)-3-aminobenzoate;ethyl 4-(2-adamantylmethyl)-3-(benzylamino)benzoate;ethyl 4-(2-adamantylmethyl)-3-(dibenzylamino)benzoate;ethyl 4-(2-adamantylmethyl)-3-nitrobenzoate;ethyl 4-(2-adamantylmethyl)-3-(pyridin-4-ylmethylamino)benzoate;ethyl 4-(2-adamantylmethyl)-3-(pyrimidin-4-ylmethylamino)benzoate;ethyl 4-chloro-3-nitrobenzoate (PubChem CID 157330578) has the molecular formula C171H212ClN11O18 and a molecular weight of 2745.09 g/mol. Its IUPAC name is adamantan-2-amine;ethyl 4-(2-adamantylmethyl)-3-aminobenzoate;ethyl 4-(2-adamantylmethyl)-3-(benzylamino)benzoate;ethyl 4-(2-adamantylmethyl)-3-(dibenzylamino)benzoate;ethyl 4-(2-adamantylmethyl)-3-nitrobenzoate;ethyl 4-(2-adamantylmethyl)-3-(pyridin-4-ylmethylamino)benzoate;ethyl 4-(2-adamantylmethyl)-3-(pyrimidin-4-ylmethylamino)benzoate;ethyl 4-chloro-3-nitrobenzoate.

Molecular Properties

Compound Nameadamantan-2-amine;ethyl 4-(2-adamantylmethyl)-3-aminobenzoate;ethyl 4-(2-adamantylmethyl)-3-(benzylamino)benzoate;ethyl 4-(2-adamantylmethyl)-3-(dibenzylamino)benzoate;ethyl 4-(2-adamantylmethyl)-3-nitrobenzoate;ethyl 4-(2-adamantylmethyl)-3-(pyridin-4-ylmethylamino)benzoate;ethyl 4-(2-adamantylmethyl)-3-(pyrimidin-4-ylmethylamino)benzoate;ethyl 4-chloro-3-nitrobenzoate
PubChem CID157330578
Molecular FormulaC171H212ClN11O18
Molecular Weight2745.09 g/mol
Exact Mass2742.57
IUPAC Nameadamantan-2-amine;ethyl 4-(2-adamantylmethyl)-3-aminobenzoate;ethyl 4-(2-adamantylmethyl)-3-(benzylamino)benzoate;ethyl 4-(2-adamantylmethyl)-3-(dibenzylamino)benzoate;ethyl 4-(2-adamantylmethyl)-3-nitrobenzoate;ethyl 4-(2-adamantylmethyl)-3-(pyridin-4-ylmethylamino)benzoate;ethyl 4-(2-adamantylmethyl)-3-(pyrimidin-4-ylmethylamino)benzoate;ethyl 4-chloro-3-nitrobenzoate
SMILESCCOC(=O)c1ccc(CC2C3CC4CC(C3)CC2C4)c(N(Cc2ccccc2)Cc2ccccc2)c1.CCOC(=O)c1ccc(CC2C3CC4CC(C3)CC2C4)c(N)c1.CCOC(=O)c1ccc(CC2C3CC4CC(C3)CC2C4)c(NCc2ccccc2)c1.CCOC(=O)c1ccc(CC2C3CC4CC(C3)CC2C4)c(NCc2ccncc2)c1.CCOC(=O)c1ccc(CC2C3CC4CC(C3)CC2C4)c(NCc2ccncn2)c1.CCOC(=O)c1ccc(CC2C3CC4CC(C3)CC2C4)c([N+](=O)[O-])c1.CCOC(=O)c1ccc(Cl)c([N+](=O)[O-])c1.NC1C2CC3CC(C2)CC1C3
InChIInChI=1S/C34H39NO2.C27H33NO2.C26H32N2O2.C25H31N3O2.C20H25NO4.C20H27NO2.C10H17N.C9H8ClNO4/c1-2-37-34(36)29-14-13-28(20-32-30-16-26-15-27(18-30)19-31(32)17-26)33(21-29)35(22-24-9-5-3-6-10-24)23-25-11-7-4-8-12-25;1-2-30-27(29)22-9-8-21(26(16-22)28-17-18-6-4-3-5-7-18)15-25-23-11-19-10-20(13-23)14-24(25)12-19;1-2-30-26(29)21-4-3-20(25(15-21)28-16-17-5-7-27-8-6-17)14-24-22-10-18-9-19(12-22)13-23(24)11-18;1-2-30-25(29)19-4-3-18(24(13-19)27-14-22-5-6-26-15-28-22)12-23-20-8-16-7-17(10-20)11-21(23)9-16;1-2-25-20(22)15-4-3-14(19(11-15)21(23)24)10-18-16-6-12-5-13(8-16)9-17(18)7-12;1-2-23-20(22)15-4-3-14(19(21)11-15)10-18-16-6-12-5-13(8-16)9-17(18)7-12;11-10-8-2-6-1-7(4-8)5-9(10)3-6;1-2-15-9(12)6-3-4-7(10)8(5-6)11(13)14/h3-14,21,26-27,30-32H,2,15-20,22-23H2,1H3;3-9,16,19-20,23-25,28H,2,10-15,17H2,1H3;3-8,15,18-19,22-24,28H,2,9-14,16H2,1H3;3-6,13,15-17,20-21,23,27H,2,7-12,14H2,1H3;3-4,11-13,16-18H,2,5-10H2,1H3;3-4,11-13,16-18H,2,5-10,21H2,1H3;6-10H,1-5,11H2;3-5H,2H2,1H3
InChIKeyBFFVGKFAZUTASU-UHFFFAOYSA-N
XLogP36.78
TPSA400.42 Ų
H-Bond Donors5
H-Bond Acceptors27
Rotatable Bonds42
Heavy Atoms201
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002745.09
LogP ≤ 536.78
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1027

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze adamantan-2-amine;ethyl 4-(2-adamantylmethyl)-3-aminobenzoate;ethyl 4-(2-adamantylmethyl)-3-(benzylamino)benzoate;ethyl 4-(2-adamantylmethyl)-3-(dibenzylamino)benzoate;ethyl 4-(2-adamantylmethyl)-3-nitrobenzoate;ethyl 4-(2-adamantylmethyl)-3-(pyridin-4-ylmethylamino)benzoate;ethyl 4-(2-adamantylmethyl)-3-(pyrimidin-4-ylmethylamino)benzoate;ethyl 4-chloro-3-nitrobenzoate with MolForge

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Related Compounds

Ethyl 4-(1-adamantylmethyl)-3-aminobenzoate;bis(ethyl 4-(1-adamantylmethyl)-3-(benzylamino)benzoate);bis(ethyl 4-(1-adamantylmethyl)-3-(pyridin-4-ylmethylamino)benzoate);ethyl 4-(1-adamantylmethyl)-3-(pyrimidin-4-ylmethylamino)benzoate
CID 157293220
Bis(ethyl 4-(1-adamantylmethyl)-3-(benzylamino)benzoate);bis(ethyl 4-(1-adamantylmethyl)-3-(pyridin-4-ylmethylamino)benzoate);bis(ethyl 4-(1-adamantylmethyl)-3-(pyrimidin-4-ylmethylamino)benzoate)
CID 157316673
Ethyl 4-(1-adamantylmethyl)-3-aminobenzoate;ethyl 4-(1-adamantylmethyl)-3-(benzylamino)benzoate;ethyl 4-(1-adamantylmethyl)-3-nitrobenzoate;ethyl 4-(1-adamantylmethyl)-3-(pyridin-4-ylmethylamino)benzoate;ethyl 4-(1-adamantylmethyl)-3-(pyrimidin-4-ylmethylamino)benzoate
CID 157789498
Ethyl 4-(2-adamantylmethyl)-3-(benzylamino)benzoate;ethyl 4-(2-adamantylmethyl)-3-(pyridin-4-ylmethylamino)benzoate;ethyl 4-(1-adamantylmethyl)-3-(pyrimidin-4-ylmethylamino)benzoate;ethyl 4-(2-adamantylmethyl)-3-(pyrimidin-4-ylmethylamino)benzoate;ethyl 5-amino-2-chloro-4-(cyclohexylmethyl)benzoate;ethyl 5-amino-4-(cyclohexylmethyl)-2-methylbenzoate
CID 157828663
Ethyl 4-(2-adamantylmethyl)-3-aminobenzoate;ethyl 4-(2-adamantylmethyl)-3-(benzylamino)benzoate;ethyl 4-(2-adamantylmethyl)-3-(dibenzylamino)benzoate;ethyl 4-(2-adamantylmethyl)-3-(pyridin-4-ylmethylamino)benzoate;ethyl 4-(2-adamantylmethyl)-3-(pyrimidin-4-ylmethylamino)benzoate;ethyl 4-(cyclohexylmethyl)-2-fluoro-5-nitrobenzoate
CID 157915416
Ethyl 4-(2-adamantylmethyl)-3-(pyridin-4-ylmethylamino)benzoate;ethyl 4-(2-adamantylmethyl)-3-(pyrimidin-4-ylmethylamino)benzoate;ethyl 5-amino-2-chloro-4-(cyclohexylmethyl)benzoate;ethyl 5-amino-4-(cyclohexylmethyl)-2-methylbenzoate
CID 157926767
Ethyl 4-(1-adamantylmethyl)-3-aminobenzoate;ethyl 4-(1-adamantylmethyl)-3-(benzylamino)benzoate;ethyl 4-(1-adamantylmethyl)-3-(dibenzylamino)benzoate;ethyl 4-(1-adamantylmethyl)-3-(pyridin-4-ylmethylamino)benzoate;ethyl 4-(1-adamantylmethyl)-3-(pyrimidin-4-ylmethylamino)benzoate
CID 158148353
Ethyl 4-(1-adamantylmethyl)-3-aminobenzoate;ethyl 4-(1-adamantylmethyl)-3-(benzylamino)benzoate;ethyl 4-(1-adamantylmethyl)-3-(dibenzylamino)benzoate;ethyl 4-(1-adamantylmethyl)-3-nitrobenzoate;ethyl 4-(1-adamantylmethyl)-3-(pyridin-4-ylmethylamino)benzoate;ethyl 4-(1-adamantylmethyl)-3-(pyrimidin-4-ylmethylamino)benzoate
CID 158372234
Ethyl 4-(2-adamantylmethyl)-3-(benzylamino)benzoate;ethyl 4-(2-adamantylmethyl)-3-(dibenzylamino)benzoate;ethyl 4-(2-adamantylmethyl)-3-(pyridin-4-ylmethylamino)benzoate;ethyl 4-(2-adamantylmethyl)-3-(pyrimidin-4-ylmethylamino)benzoate
CID 158441999
Ethyl 4-(1-adamantylmethyl)-3-aminobenzoate;ethyl 4-(1-adamantylmethyl)-3-(benzylamino)benzoate;ethyl 4-(2-adamantylmethyl)-3-(benzylamino)benzoate;ethyl 4-(1-adamantylmethyl)-3-(pyridin-4-ylmethylamino)benzoate;ethyl 4-(1-adamantylmethyl)-3-(pyrimidin-4-ylmethylamino)benzoate;ethyl 4-(cyclohexylamino)-3-[(4-ethoxycarbonylphenyl)methylamino]benzoate
CID 158662626
Ethyl 4-(2-adamantylmethyl)-3-(benzylamino)benzoate;ethyl 4-(2-adamantylmethyl)-3-(dibenzylamino)benzoate;ethyl 4-(2-adamantylmethyl)-3-(pyridin-4-ylmethylamino)benzoate;ethyl 4-(2-adamantylmethyl)-3-(pyrimidin-4-ylmethylamino)benzoate;ethyl 2,4-difluoro-5-nitrobenzoate
CID 158706466
Ethyl 4-(2-adamantylmethyl)-3-(pyrimidin-4-ylmethylamino)benzoate;ethyl 5-amino-2-chloro-4-(cyclohexylmethyl)benzoate;ethyl 5-amino-4-(cyclohexylmethyl)-2-fluorobenzoate;ethyl 2-chloro-4-(cyclohexylmethyl)-5-nitrobenzoate;ethyl 2-chloro-4-fluoro-5-nitrobenzoate;ethyl 4-chloro-2-methyl-5-nitrobenzoate;ethyl 4-(cyclohexylmethyl)-2-fluoro-5-nitrobenzoate
CID 159105820

Frequently Asked Questions

What is the IUPAC name of adamantan-2-amine;ethyl 4-(2-adamantylmethyl)-3-aminobenzoate;ethyl 4-(2-adamantylmethyl)-3-(benzylamino)benzoate;ethyl 4-(2-adamantylmethyl)-3-(dibenzylamino)benzoate;ethyl 4-(2-adamantylmethyl)-3-nitrobenzoate;ethyl 4-(2-adamantylmethyl)-3-(pyridin-4-ylmethylamino)benzoate;ethyl 4-(2-adamantylmethyl)-3-(pyrimidin-4-ylmethylamino)benzoate;ethyl 4-chloro-3-nitrobenzoate?
The IUPAC name of adamantan-2-amine;ethyl 4-(2-adamantylmethyl)-3-aminobenzoate;ethyl 4-(2-adamantylmethyl)-3-(benzylamino)benzoate;ethyl 4-(2-adamantylmethyl)-3-(dibenzylamino)benzoate;ethyl 4-(2-adamantylmethyl)-3-nitrobenzoate;ethyl 4-(2-adamantylmethyl)-3-(pyridin-4-ylmethylamino)benzoate;ethyl 4-(2-adamantylmethyl)-3-(pyrimidin-4-ylmethylamino)benzoate;ethyl 4-chloro-3-nitrobenzoate (CID 157330578) is adamantan-2-amine;ethyl 4-(2-adamantylmethyl)-3-aminobenzoate;ethyl 4-(2-adamantylmethyl)-3-(benzylamino)benzoate;ethyl 4-(2-adamantylmethyl)-3-(dibenzylamino)benzoate;ethyl 4-(2-adamantylmethyl)-3-nitrobenzoate;ethyl 4-(2-adamantylmethyl)-3-(pyridin-4-ylmethylamino)benzoate;ethyl 4-(2-adamantylmethyl)-3-(pyrimidin-4-ylmethylamino)benzoate;ethyl 4-chloro-3-nitrobenzoate.
What is the SMILES notation for adamantan-2-amine;ethyl 4-(2-adamantylmethyl)-3-aminobenzoate;ethyl 4-(2-adamantylmethyl)-3-(benzylamino)benzoate;ethyl 4-(2-adamantylmethyl)-3-(dibenzylamino)benzoate;ethyl 4-(2-adamantylmethyl)-3-nitrobenzoate;ethyl 4-(2-adamantylmethyl)-3-(pyridin-4-ylmethylamino)benzoate;ethyl 4-(2-adamantylmethyl)-3-(pyrimidin-4-ylmethylamino)benzoate;ethyl 4-chloro-3-nitrobenzoate?
The canonical SMILES for adamantan-2-amine;ethyl 4-(2-adamantylmethyl)-3-aminobenzoate;ethyl 4-(2-adamantylmethyl)-3-(benzylamino)benzoate;ethyl 4-(2-adamantylmethyl)-3-(dibenzylamino)benzoate;ethyl 4-(2-adamantylmethyl)-3-nitrobenzoate;ethyl 4-(2-adamantylmethyl)-3-(pyridin-4-ylmethylamino)benzoate;ethyl 4-(2-adamantylmethyl)-3-(pyrimidin-4-ylmethylamino)benzoate;ethyl 4-chloro-3-nitrobenzoate is CCOC(=O)c1ccc(CC2C3CC4CC(C3)CC2C4)c(N(Cc2ccccc2)Cc2ccccc2)c1.CCOC(=O)c1ccc(CC2C3CC4CC(C3)CC2C4)c(N)c1.CCOC(=O)c1ccc(CC2C3CC4CC(C3)CC2C4)c(NCc2ccccc2)c1.CCOC(=O)c1ccc(CC2C3CC4CC(C3)CC2C4)c(NCc2ccncc2)c1.CCOC(=O)c1ccc(CC2C3CC4CC(C3)CC2C4)c(NCc2ccncn2)c1.CCOC(=O)c1ccc(CC2C3CC4CC(C3)CC2C4)c([N+](=O)[O-])c1.CCOC(=O)c1ccc(Cl)c([N+](=O)[O-])c1.NC1C2CC3CC(C2)CC1C3.
What is the InChIKey of adamantan-2-amine;ethyl 4-(2-adamantylmethyl)-3-aminobenzoate;ethyl 4-(2-adamantylmethyl)-3-(benzylamino)benzoate;ethyl 4-(2-adamantylmethyl)-3-(dibenzylamino)benzoate;ethyl 4-(2-adamantylmethyl)-3-nitrobenzoate;ethyl 4-(2-adamantylmethyl)-3-(pyridin-4-ylmethylamino)benzoate;ethyl 4-(2-adamantylmethyl)-3-(pyrimidin-4-ylmethylamino)benzoate;ethyl 4-chloro-3-nitrobenzoate?
The InChIKey is BFFVGKFAZUTASU-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H39NO2.C27H33NO2.C26H32N2O2.C25H31N3O2.C20H25NO4.C20H27NO2.C10H17N.C9H8ClNO4/c1-2-37-34(36)29-14-13-28(20-32-30-16-26-15-27(18-30)19-31(32)17-26)33(21-29)35(22-24-9-5-3-6-10-24)23-25-11-7-4-8-12-25;1-2-30-27(29)22-9-8-21(26(16-22)28-17-18-6-4-3-5-7-18)15-25-23-11-19-10-20(13-23)14-24(25)12-19;1-2-30-26(29)21-4-3-20(25(15-21)28-16-17-5-7-27-8-6-17)14-24-22-10-18-9-19(12-22)13-23(24)11-18;1-2-30-25(29)19-4-3-18(24(13-19)27-14-22-5-6-26-15-28-22)12-23-20-8-16-7-17(10-20)11-21(23)9-16;1-2-25-20(22)15-4-3-14(19(11-15)21(23)24)10-18-16-6-12-5-13(8-16)9-17(18)7-12;1-2-23-20(22)15-4-3-14(19(21)11-15)10-18-16-6-12-5-13(8-16)9-17(18)7-12;11-10-8-2-6-1-7(4-8)5-9(10)3-6;1-2-15-9(12)6-3-4-7(10)8(5-6)11(13)14/h3-14,21,26-27,30-32H,2,15-20,22-23H2,1H3;3-9,16,19-20,23-25,28H,2,10-15,17H2,1H3;3-8,15,18-19,22-24,28H,2,9-14,16H2,1H3;3-6,13,15-17,20-21,23,27H,2,7-12,14H2,1H3;3-4,11-13,16-18H,2,5-10H2,1H3;3-4,11-13,16-18H,2,5-10,21H2,1H3;6-10H,1-5,11H2;3-5H,2H2,1H3.
What are the key properties of adamantan-2-amine;ethyl 4-(2-adamantylmethyl)-3-aminobenzoate;ethyl 4-(2-adamantylmethyl)-3-(benzylamino)benzoate;ethyl 4-(2-adamantylmethyl)-3-(dibenzylamino)benzoate;ethyl 4-(2-adamantylmethyl)-3-nitrobenzoate;ethyl 4-(2-adamantylmethyl)-3-(pyridin-4-ylmethylamino)benzoate;ethyl 4-(2-adamantylmethyl)-3-(pyrimidin-4-ylmethylamino)benzoate;ethyl 4-chloro-3-nitrobenzoate?
adamantan-2-amine;ethyl 4-(2-adamantylmethyl)-3-aminobenzoate;ethyl 4-(2-adamantylmethyl)-3-(benzylamino)benzoate;ethyl 4-(2-adamantylmethyl)-3-(dibenzylamino)benzoate;ethyl 4-(2-adamantylmethyl)-3-nitrobenzoate;ethyl 4-(2-adamantylmethyl)-3-(pyridin-4-ylmethylamino)benzoate;ethyl 4-(2-adamantylmethyl)-3-(pyrimidin-4-ylmethylamino)benzoate;ethyl 4-chloro-3-nitrobenzoate has a molecular weight of 2745.09 g/mol, XLogP of 36.78, 42 rotatable bonds, 5 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for adamantan-2-amine;ethyl 4-(2-adamantylmethyl)-3-aminobenzoate;ethyl 4-(2-adamantylmethyl)-3-(benzylamino)benzoate;ethyl 4-(2-adamantylmethyl)-3-(dibenzylamino)benzoate;ethyl 4-(2-adamantylmethyl)-3-nitrobenzoate;ethyl 4-(2-adamantylmethyl)-3-(pyridin-4-ylmethylamino)benzoate;ethyl 4-(2-adamantylmethyl)-3-(pyrimidin-4-ylmethylamino)benzoate;ethyl 4-chloro-3-nitrobenzoate is sourced from PubChem (CID 157330578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).