bis(dichloromethane);ethyl 2-chloro-2-oxoacetate;ethyl 3-[4-[2-(1-ethylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]-2-oxopropanoate;4-[2-(1-ethylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxy-3-fluoroaniline;3-[4-[2-(1-ethylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]-N-[2-(2-fluorophenyl)ethyl]-2-oxopropanamide;3-[4-[2-(1-ethylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]-N-[2-(2-methoxyphenyl)ethyl]-2-oxopropanamide;2-(2-fluorophenyl)ethanamine;2-(2-methoxyphenyl)ethanamine

C123H118Cl5F6N17O16S4 — CID 157057499

About bis(dichloromethane);ethyl 2-chloro-2-oxoacetate;ethyl 3-[4-[2-(1-ethylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]-2-oxopropanoate;4-[2-(1-ethylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxy-3-fluoroaniline;3-[4-[2-(1-ethylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]-N-[2-(2-fluorophenyl)ethyl]-2-oxopropanamide;3-[4-[2-(1-ethylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]-N-[2-(2-methoxyphenyl)ethyl]-2-oxopropanamide;2-(2-fluorophenyl)ethanamine;2-(2-methoxyphenyl)ethanamine

bis(dichloromethane);ethyl 2-chloro-2-oxoacetate;ethyl 3-[4-[2-(1-ethylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]-2-oxopropanoate;4-[2-(1-ethylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxy-3-fluoroaniline;3-[4-[2-(1-ethylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]-N-[2-(2-fluorophenyl)ethyl]-2-oxopropanamide;3-[4-[2-(1-ethylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]-N-[2-(2-methoxyphenyl)ethyl]-2-oxopropanamide;2-(2-fluorophenyl)ethanamine;2-(2-methoxyphenyl)ethanamine (PubChem CID 157057499) has the molecular formula C123H118Cl5F6N17O16S4 and a molecular weight of 2509.92 g/mol. Its IUPAC name is bis(dichloromethane);ethyl 2-chloro-2-oxoacetate;ethyl 3-[4-[2-(1-ethylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]-2-oxopropanoate;4-[2-(1-ethylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxy-3-fluoroaniline;3-[4-[2-(1-ethylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]-N-[2-(2-fluorophenyl)ethyl]-2-oxopropanamide;3-[4-[2-(1-ethylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]-N-[2-(2-methoxyphenyl)ethyl]-2-oxopropanamide;2-(2-fluorophenyl)ethanamine;2-(2-methoxyphenyl)ethanamine.

Molecular Properties

• Compound Name: bis(dichloromethane);ethyl 2-chloro-2-oxoacetate;ethyl 3-[4-[2-(1-ethylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]-2-oxopropanoate;4-[2-(1-ethylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxy-3-fluoroaniline;3-[4-[2-(1-ethylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]-N-[2-(2-fluorophenyl)ethyl]-2-oxopropanamide;3-[4-[2-(1-ethylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]-N-[2-(2-methoxyphenyl)ethyl]-2-oxopropanamide;2-(2-fluorophenyl)ethanamine;2-(2-methoxyphenyl)ethanamine
• PubChem CID: 157057499
• Molecular Formula: C123H118Cl5F6N17O16S4
• Molecular Weight: 2509.92 g/mol
• Exact Mass: 2505.62
• IUPAC Name: bis(dichloromethane);ethyl 2-chloro-2-oxoacetate;ethyl 3-[4-[2-(1-ethylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]-2-oxopropanoate;4-[2-(1-ethylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxy-3-fluoroaniline;3-[4-[2-(1-ethylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]-N-[2-(2-fluorophenyl)ethyl]-2-oxopropanamide;3-[4-[2-(1-ethylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]-N-[2-(2-methoxyphenyl)ethyl]-2-oxopropanamide;2-(2-fluorophenyl)ethanamine;2-(2-methoxyphenyl)ethanamine
• SMILES: CCOC(=O)C(=O)Cc1ccc(Oc2ccnc3cc(-c4cn(CC)cn4)sc23)c(F)c1.CCOC(=O)C(=O)Cl.CCn1cnc(-c2cc3nccc(Oc4ccc(CC(=O)C(=O)NCCc5ccccc5F)cc4F)c3s2)c1.CCn1cnc(-c2cc3nccc(Oc4ccc(CC(=O)C(=O)NCCc5ccccc5OC)cc4F)c3s2)c1.CCn1cnc(-c2cc3nccc(Oc4ccc(N)cc4F)c3s2)c1.COc1ccccc1CCN.ClCCl.ClCCl.NCCc1ccccc1F
• InChI: InChI=1S/C30H27FN4O4S.C29H24F2N4O3S.C23H20FN3O4S.C18H15FN4OS.C9H13NO.C8H10FN.C4H5ClO3.2CH2Cl2/c1-3-35-17-23(34-18-35)28-16-22-29(40-28)27(11-13-32-22)39-26-9-8-19(14-21(26)31)15-24(36)30(37)33-12-10-20-6-4-5-7-25(20)38-2;1-2-35-16-23(34-17-35)27-15-22-28(39-27)26(10-12-32-22)38-25-8-7-18(13-21(25)31)14-24(36)29(37)33-11-9-19-5-3-4-6-20(19)30;1-3-27-12-17(26-13-27)21-11-16-22(32-21)20(7-8-25-16)31-19-6-5-14(9-15(19)24)10-18(28)23(29)30-4-2;1-2-23-9-14(22-10-23)17-8-13-18(25-17)16(5-6-21-13)24-15-4-3-11(20)7-12(15)19;1-11-9-5-3-2-4-8(9)6-7-10;9-8-4-2-1-3-7(8)5-6-10;1-2-8-4(7)3(5)6;2*2-1-3/h4-9,11,13-14,16-18H,3,10,12,15H2,1-2H3,(H,33,37);3-8,10,12-13,15-17H,2,9,11,14H2,1H3,(H,33,37);5-9,11-13H,3-4,10H2,1-2H3;3-10H,2,20H2,1H3;2-5H,6-7,10H2,1H3;1-4H,5-6,10H2;2H2,1H3;2*1H2
• InChIKey: AAXVJFYOAKGZCD-UHFFFAOYSA-N
• XLogP: 26.47
• TPSA: 435.36 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 35
• Rotatable Bonds: 40
• Heavy Atoms: 171
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2509.92
LogP ≤ 5	26.47
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	35

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of bis(dichloromethane);ethyl 2-chloro-2-oxoacetate;ethyl 3-[4-[2-(1-ethylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]-2-oxopropanoate;4-[2-(1-ethylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxy-3-fluoroaniline;3-[4-[2-(1-ethylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]-N-[2-(2-fluorophenyl)ethyl]-2-oxopropanamide;3-[4-[2-(1-ethylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]-N-[2-(2-methoxyphenyl)ethyl]-2-oxopropanamide;2-(2-fluorophenyl)ethanamine;2-(2-methoxyphenyl)ethanamine?

The IUPAC name of bis(dichloromethane);ethyl 2-chloro-2-oxoacetate;ethyl 3-[4-[2-(1-ethylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]-2-oxopropanoate;4-[2-(1-ethylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxy-3-fluoroaniline;3-[4-[2-(1-ethylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]-N-[2-(2-fluorophenyl)ethyl]-2-oxopropanamide;3-[4-[2-(1-ethylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]-N-[2-(2-methoxyphenyl)ethyl]-2-oxopropanamide;2-(2-fluorophenyl)ethanamine;2-(2-methoxyphenyl)ethanamine (CID 157057499) is bis(dichloromethane);ethyl 2-chloro-2-oxoacetate;ethyl 3-[4-[2-(1-ethylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]-2-oxopropanoate;4-[2-(1-ethylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxy-3-fluoroaniline;3-[4-[2-(1-ethylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]-N-[2-(2-fluorophenyl)ethyl]-2-oxopropanamide;3-[4-[2-(1-ethylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]-N-[2-(2-methoxyphenyl)ethyl]-2-oxopropanamide;2-(2-fluorophenyl)ethanamine;2-(2-methoxyphenyl)ethanamine.

What is the SMILES notation for bis(dichloromethane);ethyl 2-chloro-2-oxoacetate;ethyl 3-[4-[2-(1-ethylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]-2-oxopropanoate;4-[2-(1-ethylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxy-3-fluoroaniline;3-[4-[2-(1-ethylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]-N-[2-(2-fluorophenyl)ethyl]-2-oxopropanamide;3-[4-[2-(1-ethylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]-N-[2-(2-methoxyphenyl)ethyl]-2-oxopropanamide;2-(2-fluorophenyl)ethanamine;2-(2-methoxyphenyl)ethanamine?

The canonical SMILES for bis(dichloromethane);ethyl 2-chloro-2-oxoacetate;ethyl 3-[4-[2-(1-ethylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]-2-oxopropanoate;4-[2-(1-ethylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxy-3-fluoroaniline;3-[4-[2-(1-ethylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]-N-[2-(2-fluorophenyl)ethyl]-2-oxopropanamide;3-[4-[2-(1-ethylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]-N-[2-(2-methoxyphenyl)ethyl]-2-oxopropanamide;2-(2-fluorophenyl)ethanamine;2-(2-methoxyphenyl)ethanamine is CCOC(=O)C(=O)Cc1ccc(Oc2ccnc3cc(-c4cn(CC)cn4)sc23)c(F)c1.CCOC(=O)C(=O)Cl.CCn1cnc(-c2cc3nccc(Oc4ccc(CC(=O)C(=O)NCCc5ccccc5F)cc4F)c3s2)c1.CCn1cnc(-c2cc3nccc(Oc4ccc(CC(=O)C(=O)NCCc5ccccc5OC)cc4F)c3s2)c1.CCn1cnc(-c2cc3nccc(Oc4ccc(N)cc4F)c3s2)c1.COc1ccccc1CCN.ClCCl.ClCCl.NCCc1ccccc1F.

What is the InChIKey of bis(dichloromethane);ethyl 2-chloro-2-oxoacetate;ethyl 3-[4-[2-(1-ethylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]-2-oxopropanoate;4-[2-(1-ethylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxy-3-fluoroaniline;3-[4-[2-(1-ethylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]-N-[2-(2-fluorophenyl)ethyl]-2-oxopropanamide;3-[4-[2-(1-ethylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]-N-[2-(2-methoxyphenyl)ethyl]-2-oxopropanamide;2-(2-fluorophenyl)ethanamine;2-(2-methoxyphenyl)ethanamine?

The InChIKey is AAXVJFYOAKGZCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H27FN4O4S.C29H24F2N4O3S.C23H20FN3O4S.C18H15FN4OS.C9H13NO.C8H10FN.C4H5ClO3.2CH2Cl2/c1-3-35-17-23(34-18-35)28-16-22-29(40-28)27(11-13-32-22)39-26-9-8-19(14-21(26)31)15-24(36)30(37)33-12-10-20-6-4-5-7-25(20)38-2;1-2-35-16-23(34-17-35)27-15-22-28(39-27)26(10-12-32-22)38-25-8-7-18(13-21(25)31)14-24(36)29(37)33-11-9-19-5-3-4-6-20(19)30;1-3-27-12-17(26-13-27)21-11-16-22(32-21)20(7-8-25-16)31-19-6-5-14(9-15(19)24)10-18(28)23(29)30-4-2;1-2-23-9-14(22-10-23)17-8-13-18(25-17)16(5-6-21-13)24-15-4-3-11(20)7-12(15)19;1-11-9-5-3-2-4-8(9)6-7-10;9-8-4-2-1-3-7(8)5-6-10;1-2-8-4(7)3(5)6;2*2-1-3/h4-9,11,13-14,16-18H,3,10,12,15H2,1-2H3,(H,33,37);3-8,10,12-13,15-17H,2,9,11,14H2,1H3,(H,33,37);5-9,11-13H,3-4,10H2,1-2H3;3-10H,2,20H2,1H3;2-5H,6-7,10H2,1H3;1-4H,5-6,10H2;2H2,1H3;2*1H2.

What are the key properties of bis(dichloromethane);ethyl 2-chloro-2-oxoacetate;ethyl 3-[4-[2-(1-ethylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]-2-oxopropanoate;4-[2-(1-ethylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxy-3-fluoroaniline;3-[4-[2-(1-ethylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]-N-[2-(2-fluorophenyl)ethyl]-2-oxopropanamide;3-[4-[2-(1-ethylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]-N-[2-(2-methoxyphenyl)ethyl]-2-oxopropanamide;2-(2-fluorophenyl)ethanamine;2-(2-methoxyphenyl)ethanamine?

bis(dichloromethane);ethyl 2-chloro-2-oxoacetate;ethyl 3-[4-[2-(1-ethylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]-2-oxopropanoate;4-[2-(1-ethylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxy-3-fluoroaniline;3-[4-[2-(1-ethylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]-N-[2-(2-fluorophenyl)ethyl]-2-oxopropanamide;3-[4-[2-(1-ethylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]-N-[2-(2-methoxyphenyl)ethyl]-2-oxopropanamide;2-(2-fluorophenyl)ethanamine;2-(2-methoxyphenyl)ethanamine has a molecular weight of 2509.92 g/mol, XLogP of 26.47, 40 rotatable bonds, 5 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for bis(dichloromethane);ethyl 2-chloro-2-oxoacetate;ethyl 3-[4-[2-(1-ethylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]-2-oxopropanoate;4-[2-(1-ethylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxy-3-fluoroaniline;3-[4-[2-(1-ethylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]-N-[2-(2-fluorophenyl)ethyl]-2-oxopropanamide;3-[4-[2-(1-ethylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]-N-[2-(2-methoxyphenyl)ethyl]-2-oxopropanamide;2-(2-fluorophenyl)ethanamine;2-(2-methoxyphenyl)ethanamine is sourced from PubChem (CID 157057499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).