2-(6-amino-2,3-difluorophenyl)propan-2-ol;2-[6-[[4-[5-amino-4-[2-(dimethylamino)ethyl-methylamino]-2-methoxyanilino]-1,3,5-triazin-2-yl]amino]-2,3-difluorophenyl]propan-2-ol;tert-butyl N-[3,4-difluoro-2-(2-hydroxypropan-2-yl)phenyl]carbamate;4-chloro-N-(4-fluoro-2-methoxy-5-nitrophenyl)-1,3,5-triazin-2-amine;dichloromethane;2-[2,3-difluoro-6-[[4-(4-fluoro-2-methoxy-5-nitroanilino)-1,3,5-triazin-2-yl]amino]phenyl]propan-2-ol;2-[6-[[4-[4-[2-(dimethylamino)ethyl-methylamino]-2-methoxy-5-nitroanilino]-1,3,5-triazin-2-yl]amino]-2,3-difluorophenyl]propan-2-ol;methane;methanol;prop-2-enoyl chloride;2,2,2-trifluoroacetaldehyde;N,N',N'-trimethylethane-1,2-diamine

C113H144Cl4F15N31O20 — CID 158754960

About 2-(6-amino-2,3-difluorophenyl)propan-2-ol;2-[6-[[4-[5-amino-4-[2-(dimethylamino)ethyl-methylamino]-2-methoxyanilino]-1,3,5-triazin-2-yl]amino]-2,3-difluorophenyl]propan-2-ol;tert-butyl N-[3,4-difluoro-2-(2-hydroxypropan-2-yl)phenyl]carbamate;4-chloro-N-(4-fluoro-2-methoxy-5-nitrophenyl)-1,3,5-triazin-2-amine;dichloromethane;2-[2,3-difluoro-6-[[4-(4-fluoro-2-methoxy-5-nitroanilino)-1,3,5-triazin-2-yl]amino]phenyl]propan-2-ol;2-[6-[[4-[4-[2-(dimethylamino)ethyl-methylamino]-2-methoxy-5-nitroanilino]-1,3,5-triazin-2-yl]amino]-2,3-difluorophenyl]propan-2-ol;methane;methanol;prop-2-enoyl chloride;2,2,2-trifluoroacetaldehyde;N,N',N'-trimethylethane-1,2-diamine

2-(6-amino-2,3-difluorophenyl)propan-2-ol;2-[6-[[4-[5-amino-4-[2-(dimethylamino)ethyl-methylamino]-2-methoxyanilino]-1,3,5-triazin-2-yl]amino]-2,3-difluorophenyl]propan-2-ol;tert-butyl N-[3,4-difluoro-2-(2-hydroxypropan-2-yl)phenyl]carbamate;4-chloro-N-(4-fluoro-2-methoxy-5-nitrophenyl)-1,3,5-triazin-2-amine;dichloromethane;2-[2,3-difluoro-6-[[4-(4-fluoro-2-methoxy-5-nitroanilino)-1,3,5-triazin-2-yl]amino]phenyl]propan-2-ol;2-[6-[[4-[4-[2-(dimethylamino)ethyl-methylamino]-2-methoxy-5-nitroanilino]-1,3,5-triazin-2-yl]amino]-2,3-difluorophenyl]propan-2-ol;methane;methanol;prop-2-enoyl chloride;2,2,2-trifluoroacetaldehyde;N,N',N'-trimethylethane-1,2-diamine (PubChem CID 158754960) has the molecular formula C113H144Cl4F15N31O20 and a molecular weight of 2683.37 g/mol. Its IUPAC name is 2-(6-amino-2,3-difluorophenyl)propan-2-ol;2-[6-[[4-[5-amino-4-[2-(dimethylamino)ethyl-methylamino]-2-methoxyanilino]-1,3,5-triazin-2-yl]amino]-2,3-difluorophenyl]propan-2-ol;tert-butyl N-[3,4-difluoro-2-(2-hydroxypropan-2-yl)phenyl]carbamate;4-chloro-N-(4-fluoro-2-methoxy-5-nitrophenyl)-1,3,5-triazin-2-amine;dichloromethane;2-[2,3-difluoro-6-[[4-(4-fluoro-2-methoxy-5-nitroanilino)-1,3,5-triazin-2-yl]amino]phenyl]propan-2-ol;2-[6-[[4-[4-[2-(dimethylamino)ethyl-methylamino]-2-methoxy-5-nitroanilino]-1,3,5-triazin-2-yl]amino]-2,3-difluorophenyl]propan-2-ol;methane;methanol;prop-2-enoyl chloride;2,2,2-trifluoroacetaldehyde;N,N',N'-trimethylethane-1,2-diamine.

Molecular Properties

• Compound Name: 2-(6-amino-2,3-difluorophenyl)propan-2-ol;2-[6-[[4-[5-amino-4-[2-(dimethylamino)ethyl-methylamino]-2-methoxyanilino]-1,3,5-triazin-2-yl]amino]-2,3-difluorophenyl]propan-2-ol;tert-butyl N-[3,4-difluoro-2-(2-hydroxypropan-2-yl)phenyl]carbamate;4-chloro-N-(4-fluoro-2-methoxy-5-nitrophenyl)-1,3,5-triazin-2-amine;dichloromethane;2-[2,3-difluoro-6-[[4-(4-fluoro-2-methoxy-5-nitroanilino)-1,3,5-triazin-2-yl]amino]phenyl]propan-2-ol;2-[6-[[4-[4-[2-(dimethylamino)ethyl-methylamino]-2-methoxy-5-nitroanilino]-1,3,5-triazin-2-yl]amino]-2,3-difluorophenyl]propan-2-ol;methane;methanol;prop-2-enoyl chloride;2,2,2-trifluoroacetaldehyde;N,N',N'-trimethylethane-1,2-diamine
• PubChem CID: 158754960
• Molecular Formula: C113H144Cl4F15N31O20
• Molecular Weight: 2683.37 g/mol
• Exact Mass: 2679.97
• IUPAC Name: 2-(6-amino-2,3-difluorophenyl)propan-2-ol;2-[6-[[4-[5-amino-4-[2-(dimethylamino)ethyl-methylamino]-2-methoxyanilino]-1,3,5-triazin-2-yl]amino]-2,3-difluorophenyl]propan-2-ol;tert-butyl N-[3,4-difluoro-2-(2-hydroxypropan-2-yl)phenyl]carbamate;4-chloro-N-(4-fluoro-2-methoxy-5-nitrophenyl)-1,3,5-triazin-2-amine;dichloromethane;2-[2,3-difluoro-6-[[4-(4-fluoro-2-methoxy-5-nitroanilino)-1,3,5-triazin-2-yl]amino]phenyl]propan-2-ol;2-[6-[[4-[4-[2-(dimethylamino)ethyl-methylamino]-2-methoxy-5-nitroanilino]-1,3,5-triazin-2-yl]amino]-2,3-difluorophenyl]propan-2-ol;methane;methanol;prop-2-enoyl chloride;2,2,2-trifluoroacetaldehyde;N,N',N'-trimethylethane-1,2-diamine
• SMILES: C.C=CC(=O)Cl.CC(C)(C)OC(=O)Nc1ccc(F)c(F)c1C(C)(C)O.CC(C)(O)c1c(N)ccc(F)c1F.CNCCN(C)C.CO.COc1cc(F)c([N+](=O)[O-])cc1Nc1ncnc(Cl)n1.COc1cc(F)c([N+](=O)[O-])cc1Nc1ncnc(Nc2ccc(F)c(F)c2C(C)(C)O)n1.COc1cc(N(C)CCN(C)C)c(N)cc1Nc1ncnc(Nc2ccc(F)c(F)c2C(C)(C)O)n1.COc1cc(N(C)CCN(C)C)c([N+](=O)[O-])cc1Nc1ncnc(Nc2ccc(F)c(F)c2C(C)(C)O)n1.ClCCl.O=CC(F)(F)F
• InChI: InChI=1S/C24H30F2N8O4.C24H32F2N8O2.C19H17F3N6O4.C14H19F2NO3.C10H7ClFN5O3.C9H11F2NO.C5H14N2.C3H3ClO.C2HF3O.CH2Cl2.CH4O.CH4/c1-24(2,35)20-15(8-7-14(25)21(20)26)29-22-27-13-28-23(31-22)30-16-11-18(34(36)37)17(12-19(16)38-6)33(5)10-9-32(3)4;1-24(2,35)20-16(8-7-14(25)21(20)26)30-22-28-13-29-23(32-22)31-17-11-15(27)18(12-19(17)36-6)34(5)10-9-33(3)4;1-19(2,29)15-11(5-4-9(20)16(15)22)25-17-23-8-24-18(27-17)26-12-7-13(28(30)31)10(21)6-14(12)32-3;1-13(2,3)20-12(18)17-9-7-6-8(15)11(16)10(9)14(4,5)19;1-20-8-2-5(12)7(17(18)19)3-6(8)15-10-14-4-13-9(11)16-10;1-9(2,13)7-6(12)4-3-5(10)8(7)11;1-6-4-5-7(2)3;1-2-3(4)5;3-2(4,5)1-6;2-1-3;1-2;/h7-8,11-13,35H,9-10H2,1-6H3,(H2,27,28,29,30,31);7-8,11-13,35H,9-10,27H2,1-6H3,(H2,28,29,30,31,32);4-8,29H,1-3H3,(H2,23,24,25,26,27);6-7,19H,1-5H3,(H,17,18);2-4H,1H3,(H,13,14,15,16);3-4,13H,12H2,1-2H3;6H,4-5H2,1-3H3;2H,1H2;1H;1H2;2H,1H3;1H4
• InChIKey: INYIYXXREBDAGC-UHFFFAOYSA-N
• XLogP: 21.91
• TPSA: 679.35 Ų
• H-Bond Donors: 17
• H-Bond Acceptors: 47
• Rotatable Bonds: 39
• Heavy Atoms: 183
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2683.37
LogP ≤ 5	21.91
H-Bond Donors ≤ 5	17
H-Bond Acceptors ≤ 10	47

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(6-amino-2,3-difluorophenyl)propan-2-ol;2-[6-[[4-[5-amino-4-[2-(dimethylamino)ethyl-methylamino]-2-methoxyanilino]-1,3,5-triazin-2-yl]amino]-2,3-difluorophenyl]propan-2-ol;tert-butyl N-[3,4-difluoro-2-(2-hydroxypropan-2-yl)phenyl]carbamate;4-chloro-N-(4-fluoro-2-methoxy-5-nitrophenyl)-1,3,5-triazin-2-amine;dichloromethane;2-[2,3-difluoro-6-[[4-(4-fluoro-2-methoxy-5-nitroanilino)-1,3,5-triazin-2-yl]amino]phenyl]propan-2-ol;2-[6-[[4-[4-[2-(dimethylamino)ethyl-methylamino]-2-methoxy-5-nitroanilino]-1,3,5-triazin-2-yl]amino]-2,3-difluorophenyl]propan-2-ol;methane;methanol;prop-2-enoyl chloride;2,2,2-trifluoroacetaldehyde;N,N',N'-trimethylethane-1,2-diamine?

The IUPAC name of 2-(6-amino-2,3-difluorophenyl)propan-2-ol;2-[6-[[4-[5-amino-4-[2-(dimethylamino)ethyl-methylamino]-2-methoxyanilino]-1,3,5-triazin-2-yl]amino]-2,3-difluorophenyl]propan-2-ol;tert-butyl N-[3,4-difluoro-2-(2-hydroxypropan-2-yl)phenyl]carbamate;4-chloro-N-(4-fluoro-2-methoxy-5-nitrophenyl)-1,3,5-triazin-2-amine;dichloromethane;2-[2,3-difluoro-6-[[4-(4-fluoro-2-methoxy-5-nitroanilino)-1,3,5-triazin-2-yl]amino]phenyl]propan-2-ol;2-[6-[[4-[4-[2-(dimethylamino)ethyl-methylamino]-2-methoxy-5-nitroanilino]-1,3,5-triazin-2-yl]amino]-2,3-difluorophenyl]propan-2-ol;methane;methanol;prop-2-enoyl chloride;2,2,2-trifluoroacetaldehyde;N,N',N'-trimethylethane-1,2-diamine (CID 158754960) is 2-(6-amino-2,3-difluorophenyl)propan-2-ol;2-[6-[[4-[5-amino-4-[2-(dimethylamino)ethyl-methylamino]-2-methoxyanilino]-1,3,5-triazin-2-yl]amino]-2,3-difluorophenyl]propan-2-ol;tert-butyl N-[3,4-difluoro-2-(2-hydroxypropan-2-yl)phenyl]carbamate;4-chloro-N-(4-fluoro-2-methoxy-5-nitrophenyl)-1,3,5-triazin-2-amine;dichloromethane;2-[2,3-difluoro-6-[[4-(4-fluoro-2-methoxy-5-nitroanilino)-1,3,5-triazin-2-yl]amino]phenyl]propan-2-ol;2-[6-[[4-[4-[2-(dimethylamino)ethyl-methylamino]-2-methoxy-5-nitroanilino]-1,3,5-triazin-2-yl]amino]-2,3-difluorophenyl]propan-2-ol;methane;methanol;prop-2-enoyl chloride;2,2,2-trifluoroacetaldehyde;N,N',N'-trimethylethane-1,2-diamine.

What is the SMILES notation for 2-(6-amino-2,3-difluorophenyl)propan-2-ol;2-[6-[[4-[5-amino-4-[2-(dimethylamino)ethyl-methylamino]-2-methoxyanilino]-1,3,5-triazin-2-yl]amino]-2,3-difluorophenyl]propan-2-ol;tert-butyl N-[3,4-difluoro-2-(2-hydroxypropan-2-yl)phenyl]carbamate;4-chloro-N-(4-fluoro-2-methoxy-5-nitrophenyl)-1,3,5-triazin-2-amine;dichloromethane;2-[2,3-difluoro-6-[[4-(4-fluoro-2-methoxy-5-nitroanilino)-1,3,5-triazin-2-yl]amino]phenyl]propan-2-ol;2-[6-[[4-[4-[2-(dimethylamino)ethyl-methylamino]-2-methoxy-5-nitroanilino]-1,3,5-triazin-2-yl]amino]-2,3-difluorophenyl]propan-2-ol;methane;methanol;prop-2-enoyl chloride;2,2,2-trifluoroacetaldehyde;N,N',N'-trimethylethane-1,2-diamine?

The canonical SMILES for 2-(6-amino-2,3-difluorophenyl)propan-2-ol;2-[6-[[4-[5-amino-4-[2-(dimethylamino)ethyl-methylamino]-2-methoxyanilino]-1,3,5-triazin-2-yl]amino]-2,3-difluorophenyl]propan-2-ol;tert-butyl N-[3,4-difluoro-2-(2-hydroxypropan-2-yl)phenyl]carbamate;4-chloro-N-(4-fluoro-2-methoxy-5-nitrophenyl)-1,3,5-triazin-2-amine;dichloromethane;2-[2,3-difluoro-6-[[4-(4-fluoro-2-methoxy-5-nitroanilino)-1,3,5-triazin-2-yl]amino]phenyl]propan-2-ol;2-[6-[[4-[4-[2-(dimethylamino)ethyl-methylamino]-2-methoxy-5-nitroanilino]-1,3,5-triazin-2-yl]amino]-2,3-difluorophenyl]propan-2-ol;methane;methanol;prop-2-enoyl chloride;2,2,2-trifluoroacetaldehyde;N,N',N'-trimethylethane-1,2-diamine is C.C=CC(=O)Cl.CC(C)(C)OC(=O)Nc1ccc(F)c(F)c1C(C)(C)O.CC(C)(O)c1c(N)ccc(F)c1F.CNCCN(C)C.CO.COc1cc(F)c([N+](=O)[O-])cc1Nc1ncnc(Cl)n1.COc1cc(F)c([N+](=O)[O-])cc1Nc1ncnc(Nc2ccc(F)c(F)c2C(C)(C)O)n1.COc1cc(N(C)CCN(C)C)c(N)cc1Nc1ncnc(Nc2ccc(F)c(F)c2C(C)(C)O)n1.COc1cc(N(C)CCN(C)C)c([N+](=O)[O-])cc1Nc1ncnc(Nc2ccc(F)c(F)c2C(C)(C)O)n1.ClCCl.O=CC(F)(F)F.

What is the InChIKey of 2-(6-amino-2,3-difluorophenyl)propan-2-ol;2-[6-[[4-[5-amino-4-[2-(dimethylamino)ethyl-methylamino]-2-methoxyanilino]-1,3,5-triazin-2-yl]amino]-2,3-difluorophenyl]propan-2-ol;tert-butyl N-[3,4-difluoro-2-(2-hydroxypropan-2-yl)phenyl]carbamate;4-chloro-N-(4-fluoro-2-methoxy-5-nitrophenyl)-1,3,5-triazin-2-amine;dichloromethane;2-[2,3-difluoro-6-[[4-(4-fluoro-2-methoxy-5-nitroanilino)-1,3,5-triazin-2-yl]amino]phenyl]propan-2-ol;2-[6-[[4-[4-[2-(dimethylamino)ethyl-methylamino]-2-methoxy-5-nitroanilino]-1,3,5-triazin-2-yl]amino]-2,3-difluorophenyl]propan-2-ol;methane;methanol;prop-2-enoyl chloride;2,2,2-trifluoroacetaldehyde;N,N',N'-trimethylethane-1,2-diamine?

The InChIKey is INYIYXXREBDAGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30F2N8O4.C24H32F2N8O2.C19H17F3N6O4.C14H19F2NO3.C10H7ClFN5O3.C9H11F2NO.C5H14N2.C3H3ClO.C2HF3O.CH2Cl2.CH4O.CH4/c1-24(2,35)20-15(8-7-14(25)21(20)26)29-22-27-13-28-23(31-22)30-16-11-18(34(36)37)17(12-19(16)38-6)33(5)10-9-32(3)4;1-24(2,35)20-16(8-7-14(25)21(20)26)30-22-28-13-29-23(32-22)31-17-11-15(27)18(12-19(17)36-6)34(5)10-9-33(3)4;1-19(2,29)15-11(5-4-9(20)16(15)22)25-17-23-8-24-18(27-17)26-12-7-13(28(30)31)10(21)6-14(12)32-3;1-13(2,3)20-12(18)17-9-7-6-8(15)11(16)10(9)14(4,5)19;1-20-8-2-5(12)7(17(18)19)3-6(8)15-10-14-4-13-9(11)16-10;1-9(2,13)7-6(12)4-3-5(10)8(7)11;1-6-4-5-7(2)3;1-2-3(4)5;3-2(4,5)1-6;2-1-3;1-2;/h7-8,11-13,35H,9-10H2,1-6H3,(H2,27,28,29,30,31);7-8,11-13,35H,9-10,27H2,1-6H3,(H2,28,29,30,31,32);4-8,29H,1-3H3,(H2,23,24,25,26,27);6-7,19H,1-5H3,(H,17,18);2-4H,1H3,(H,13,14,15,16);3-4,13H,12H2,1-2H3;6H,4-5H2,1-3H3;2H,1H2;1H;1H2;2H,1H3;1H4.

What are the key properties of 2-(6-amino-2,3-difluorophenyl)propan-2-ol;2-[6-[[4-[5-amino-4-[2-(dimethylamino)ethyl-methylamino]-2-methoxyanilino]-1,3,5-triazin-2-yl]amino]-2,3-difluorophenyl]propan-2-ol;tert-butyl N-[3,4-difluoro-2-(2-hydroxypropan-2-yl)phenyl]carbamate;4-chloro-N-(4-fluoro-2-methoxy-5-nitrophenyl)-1,3,5-triazin-2-amine;dichloromethane;2-[2,3-difluoro-6-[[4-(4-fluoro-2-methoxy-5-nitroanilino)-1,3,5-triazin-2-yl]amino]phenyl]propan-2-ol;2-[6-[[4-[4-[2-(dimethylamino)ethyl-methylamino]-2-methoxy-5-nitroanilino]-1,3,5-triazin-2-yl]amino]-2,3-difluorophenyl]propan-2-ol;methane;methanol;prop-2-enoyl chloride;2,2,2-trifluoroacetaldehyde;N,N',N'-trimethylethane-1,2-diamine?

2-(6-amino-2,3-difluorophenyl)propan-2-ol;2-[6-[[4-[5-amino-4-[2-(dimethylamino)ethyl-methylamino]-2-methoxyanilino]-1,3,5-triazin-2-yl]amino]-2,3-difluorophenyl]propan-2-ol;tert-butyl N-[3,4-difluoro-2-(2-hydroxypropan-2-yl)phenyl]carbamate;4-chloro-N-(4-fluoro-2-methoxy-5-nitrophenyl)-1,3,5-triazin-2-amine;dichloromethane;2-[2,3-difluoro-6-[[4-(4-fluoro-2-methoxy-5-nitroanilino)-1,3,5-triazin-2-yl]amino]phenyl]propan-2-ol;2-[6-[[4-[4-[2-(dimethylamino)ethyl-methylamino]-2-methoxy-5-nitroanilino]-1,3,5-triazin-2-yl]amino]-2,3-difluorophenyl]propan-2-ol;methane;methanol;prop-2-enoyl chloride;2,2,2-trifluoroacetaldehyde;N,N',N'-trimethylethane-1,2-diamine has a molecular weight of 2683.37 g/mol, XLogP of 21.91, 39 rotatable bonds, 17 hydrogen bond donors, and 47 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(6-amino-2,3-difluorophenyl)propan-2-ol;2-[6-[[4-[5-amino-4-[2-(dimethylamino)ethyl-methylamino]-2-methoxyanilino]-1,3,5-triazin-2-yl]amino]-2,3-difluorophenyl]propan-2-ol;tert-butyl N-[3,4-difluoro-2-(2-hydroxypropan-2-yl)phenyl]carbamate;4-chloro-N-(4-fluoro-2-methoxy-5-nitrophenyl)-1,3,5-triazin-2-amine;dichloromethane;2-[2,3-difluoro-6-[[4-(4-fluoro-2-methoxy-5-nitroanilino)-1,3,5-triazin-2-yl]amino]phenyl]propan-2-ol;2-[6-[[4-[4-[2-(dimethylamino)ethyl-methylamino]-2-methoxy-5-nitroanilino]-1,3,5-triazin-2-yl]amino]-2,3-difluorophenyl]propan-2-ol;methane;methanol;prop-2-enoyl chloride;2,2,2-trifluoroacetaldehyde;N,N',N'-trimethylethane-1,2-diamine is sourced from PubChem (CID 158754960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).