6-chloro-2-N-cycloheptyl-4-N-(3-fluoro-4-methoxyphenyl)-1,3,5-triazine-2,4-diamine;cycloheptanamine;2-N-cycloheptyl-6-N-ethyl-4-N-(3-fluoro-4-methoxyphenyl)-1,3,5-triazine-2,4,6-triamine;4,6-dichloro-N-(3-fluoro-4-methoxyphenyl)-1,3,5-triazin-2-amine;ethanamine;3-fluoro-4-methoxyaniline;methane;2,4,6-trichloro-1,3,5-triazine

C68H97Cl6F4N21O4 — CID 160672748

About 6-chloro-2-N-cycloheptyl-4-N-(3-fluoro-4-methoxyphenyl)-1,3,5-triazine-2,4-diamine;cycloheptanamine;2-N-cycloheptyl-6-N-ethyl-4-N-(3-fluoro-4-methoxyphenyl)-1,3,5-triazine-2,4,6-triamine;4,6-dichloro-N-(3-fluoro-4-methoxyphenyl)-1,3,5-triazin-2-amine;ethanamine;3-fluoro-4-methoxyaniline;methane;2,4,6-trichloro-1,3,5-triazine

6-chloro-2-N-cycloheptyl-4-N-(3-fluoro-4-methoxyphenyl)-1,3,5-triazine-2,4-diamine;cycloheptanamine;2-N-cycloheptyl-6-N-ethyl-4-N-(3-fluoro-4-methoxyphenyl)-1,3,5-triazine-2,4,6-triamine;4,6-dichloro-N-(3-fluoro-4-methoxyphenyl)-1,3,5-triazin-2-amine;ethanamine;3-fluoro-4-methoxyaniline;methane;2,4,6-trichloro-1,3,5-triazine (PubChem CID 160672748) has the molecular formula C68H97Cl6F4N21O4 and a molecular weight of 1561.38 g/mol. Its IUPAC name is 6-chloro-2-N-cycloheptyl-4-N-(3-fluoro-4-methoxyphenyl)-1,3,5-triazine-2,4-diamine;cycloheptanamine;2-N-cycloheptyl-6-N-ethyl-4-N-(3-fluoro-4-methoxyphenyl)-1,3,5-triazine-2,4,6-triamine;4,6-dichloro-N-(3-fluoro-4-methoxyphenyl)-1,3,5-triazin-2-amine;ethanamine;3-fluoro-4-methoxyaniline;methane;2,4,6-trichloro-1,3,5-triazine.

Molecular Properties

• Compound Name: 6-chloro-2-N-cycloheptyl-4-N-(3-fluoro-4-methoxyphenyl)-1,3,5-triazine-2,4-diamine;cycloheptanamine;2-N-cycloheptyl-6-N-ethyl-4-N-(3-fluoro-4-methoxyphenyl)-1,3,5-triazine-2,4,6-triamine;4,6-dichloro-N-(3-fluoro-4-methoxyphenyl)-1,3,5-triazin-2-amine;ethanamine;3-fluoro-4-methoxyaniline;methane;2,4,6-trichloro-1,3,5-triazine
• PubChem CID: 160672748
• Molecular Formula: C68H97Cl6F4N21O4
• Molecular Weight: 1561.38 g/mol
• Exact Mass: 1557.61
• IUPAC Name: 6-chloro-2-N-cycloheptyl-4-N-(3-fluoro-4-methoxyphenyl)-1,3,5-triazine-2,4-diamine;cycloheptanamine;2-N-cycloheptyl-6-N-ethyl-4-N-(3-fluoro-4-methoxyphenyl)-1,3,5-triazine-2,4,6-triamine;4,6-dichloro-N-(3-fluoro-4-methoxyphenyl)-1,3,5-triazin-2-amine;ethanamine;3-fluoro-4-methoxyaniline;methane;2,4,6-trichloro-1,3,5-triazine
• SMILES: C.C.C.CCN.CCNc1nc(Nc2ccc(OC)c(F)c2)nc(NC2CCCCCC2)n1.COc1ccc(N)cc1F.COc1ccc(Nc2nc(Cl)nc(Cl)n2)cc1F.COc1ccc(Nc2nc(Cl)nc(NC3CCCCCC3)n2)cc1F.Clc1nc(Cl)nc(Cl)n1.NC1CCCCCC1
• InChI: InChI=1S/C19H27FN6O.C17H21ClFN5O.C10H7Cl2FN4O.C7H8FNO.C7H15N.C3Cl3N3.C2H7N.3CH4/c1-3-21-17-24-18(22-13-8-6-4-5-7-9-13)26-19(25-17)23-14-10-11-16(27-2)15(20)12-14;1-25-14-9-8-12(10-13(14)19)21-17-23-15(18)22-16(24-17)20-11-6-4-2-3-5-7-11;1-18-7-3-2-5(4-6(7)13)14-10-16-8(11)15-9(12)17-10;1-10-7-3-2-5(9)4-6(7)8;8-7-5-3-1-2-4-6-7;4-1-7-2(5)9-3(6)8-1;1-2-3;;;/h10-13H,3-9H2,1-2H3,(H3,21,22,23,24,25,26);8-11H,2-7H2,1H3,(H2,20,21,22,23,24);2-4H,1H3,(H,14,15,16,17);2-4H,9H2,1H3;7H,1-6,8H2;;2-3H2,1H3;3*1H4
• InChIKey: RNDJEKVXTVNEIN-UHFFFAOYSA-N
• XLogP: 18.74
• TPSA: 341.84 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 25
• Rotatable Bonds: 16
• Heavy Atoms: 103
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1561.38
LogP ≤ 5	18.74
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aniline', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-N-cycloheptyl-4-N-(3-fluoro-4-methoxyphenyl)-1,3,5-triazine-2,4-diamine;cycloheptanamine;2-N-cycloheptyl-6-N-ethyl-4-N-(3-fluoro-4-methoxyphenyl)-1,3,5-triazine-2,4,6-triamine;4,6-dichloro-N-(3-fluoro-4-methoxyphenyl)-1,3,5-triazin-2-amine;ethanamine;3-fluoro-4-methoxyaniline;methane;2,4,6-trichloro-1,3,5-triazine?

The IUPAC name of 6-chloro-2-N-cycloheptyl-4-N-(3-fluoro-4-methoxyphenyl)-1,3,5-triazine-2,4-diamine;cycloheptanamine;2-N-cycloheptyl-6-N-ethyl-4-N-(3-fluoro-4-methoxyphenyl)-1,3,5-triazine-2,4,6-triamine;4,6-dichloro-N-(3-fluoro-4-methoxyphenyl)-1,3,5-triazin-2-amine;ethanamine;3-fluoro-4-methoxyaniline;methane;2,4,6-trichloro-1,3,5-triazine (CID 160672748) is 6-chloro-2-N-cycloheptyl-4-N-(3-fluoro-4-methoxyphenyl)-1,3,5-triazine-2,4-diamine;cycloheptanamine;2-N-cycloheptyl-6-N-ethyl-4-N-(3-fluoro-4-methoxyphenyl)-1,3,5-triazine-2,4,6-triamine;4,6-dichloro-N-(3-fluoro-4-methoxyphenyl)-1,3,5-triazin-2-amine;ethanamine;3-fluoro-4-methoxyaniline;methane;2,4,6-trichloro-1,3,5-triazine.

What is the SMILES notation for 6-chloro-2-N-cycloheptyl-4-N-(3-fluoro-4-methoxyphenyl)-1,3,5-triazine-2,4-diamine;cycloheptanamine;2-N-cycloheptyl-6-N-ethyl-4-N-(3-fluoro-4-methoxyphenyl)-1,3,5-triazine-2,4,6-triamine;4,6-dichloro-N-(3-fluoro-4-methoxyphenyl)-1,3,5-triazin-2-amine;ethanamine;3-fluoro-4-methoxyaniline;methane;2,4,6-trichloro-1,3,5-triazine?

The canonical SMILES for 6-chloro-2-N-cycloheptyl-4-N-(3-fluoro-4-methoxyphenyl)-1,3,5-triazine-2,4-diamine;cycloheptanamine;2-N-cycloheptyl-6-N-ethyl-4-N-(3-fluoro-4-methoxyphenyl)-1,3,5-triazine-2,4,6-triamine;4,6-dichloro-N-(3-fluoro-4-methoxyphenyl)-1,3,5-triazin-2-amine;ethanamine;3-fluoro-4-methoxyaniline;methane;2,4,6-trichloro-1,3,5-triazine is C.C.C.CCN.CCNc1nc(Nc2ccc(OC)c(F)c2)nc(NC2CCCCCC2)n1.COc1ccc(N)cc1F.COc1ccc(Nc2nc(Cl)nc(Cl)n2)cc1F.COc1ccc(Nc2nc(Cl)nc(NC3CCCCCC3)n2)cc1F.Clc1nc(Cl)nc(Cl)n1.NC1CCCCCC1.

What is the InChIKey of 6-chloro-2-N-cycloheptyl-4-N-(3-fluoro-4-methoxyphenyl)-1,3,5-triazine-2,4-diamine;cycloheptanamine;2-N-cycloheptyl-6-N-ethyl-4-N-(3-fluoro-4-methoxyphenyl)-1,3,5-triazine-2,4,6-triamine;4,6-dichloro-N-(3-fluoro-4-methoxyphenyl)-1,3,5-triazin-2-amine;ethanamine;3-fluoro-4-methoxyaniline;methane;2,4,6-trichloro-1,3,5-triazine?

The InChIKey is RNDJEKVXTVNEIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27FN6O.C17H21ClFN5O.C10H7Cl2FN4O.C7H8FNO.C7H15N.C3Cl3N3.C2H7N.3CH4/c1-3-21-17-24-18(22-13-8-6-4-5-7-9-13)26-19(25-17)23-14-10-11-16(27-2)15(20)12-14;1-25-14-9-8-12(10-13(14)19)21-17-23-15(18)22-16(24-17)20-11-6-4-2-3-5-7-11;1-18-7-3-2-5(4-6(7)13)14-10-16-8(11)15-9(12)17-10;1-10-7-3-2-5(9)4-6(7)8;8-7-5-3-1-2-4-6-7;4-1-7-2(5)9-3(6)8-1;1-2-3;;;/h10-13H,3-9H2,1-2H3,(H3,21,22,23,24,25,26);8-11H,2-7H2,1H3,(H2,20,21,22,23,24);2-4H,1H3,(H,14,15,16,17);2-4H,9H2,1H3;7H,1-6,8H2;;2-3H2,1H3;3*1H4.

What are the key properties of 6-chloro-2-N-cycloheptyl-4-N-(3-fluoro-4-methoxyphenyl)-1,3,5-triazine-2,4-diamine;cycloheptanamine;2-N-cycloheptyl-6-N-ethyl-4-N-(3-fluoro-4-methoxyphenyl)-1,3,5-triazine-2,4,6-triamine;4,6-dichloro-N-(3-fluoro-4-methoxyphenyl)-1,3,5-triazin-2-amine;ethanamine;3-fluoro-4-methoxyaniline;methane;2,4,6-trichloro-1,3,5-triazine?

6-chloro-2-N-cycloheptyl-4-N-(3-fluoro-4-methoxyphenyl)-1,3,5-triazine-2,4-diamine;cycloheptanamine;2-N-cycloheptyl-6-N-ethyl-4-N-(3-fluoro-4-methoxyphenyl)-1,3,5-triazine-2,4,6-triamine;4,6-dichloro-N-(3-fluoro-4-methoxyphenyl)-1,3,5-triazin-2-amine;ethanamine;3-fluoro-4-methoxyaniline;methane;2,4,6-trichloro-1,3,5-triazine has a molecular weight of 1561.38 g/mol, XLogP of 18.74, 16 rotatable bonds, 9 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 6-chloro-2-N-cycloheptyl-4-N-(3-fluoro-4-methoxyphenyl)-1,3,5-triazine-2,4-diamine;cycloheptanamine;2-N-cycloheptyl-6-N-ethyl-4-N-(3-fluoro-4-methoxyphenyl)-1,3,5-triazine-2,4,6-triamine;4,6-dichloro-N-(3-fluoro-4-methoxyphenyl)-1,3,5-triazin-2-amine;ethanamine;3-fluoro-4-methoxyaniline;methane;2,4,6-trichloro-1,3,5-triazine is sourced from PubChem (CID 160672748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).