N-[3-[2-[4-[1-amino-3-[4-[2-(2,6-dichloro-4-methylphenoxy)ethoxy]phenyl]propan-2-yl]-3-methylphenyl]phenyl]propyl]acetamide;3-[4-[2-(2,6-dichloro-4-methylphenoxy)ethoxy]phenyl]-2-[4-[6-methoxy-4-(3-methoxypropyl)-3-pyridinyl]-2-methylphenyl]propan-1-amine;3-[4-[2-(2,6-dichloro-4-methylphenoxy)ethoxy]phenyl]-2-[2-methyl-4-[2-[(prop-1-en-2-ylamino)methyl]phenyl]phenyl]propan-1-amine

C106H118Cl6N6O9 — CID 161004925

About N-[3-[2-[4-[1-amino-3-[4-[2-(2,6-dichloro-4-methylphenoxy)ethoxy]phenyl]propan-2-yl]-3-methylphenyl]phenyl]propyl]acetamide;3-[4-[2-(2,6-dichloro-4-methylphenoxy)ethoxy]phenyl]-2-[4-[6-methoxy-4-(3-methoxypropyl)-3-pyridinyl]-2-methylphenyl]propan-1-amine;3-[4-[2-(2,6-dichloro-4-methylphenoxy)ethoxy]phenyl]-2-[2-methyl-4-[2-[(prop-1-en-2-ylamino)methyl]phenyl]phenyl]propan-1-amine

N-[3-[2-[4-[1-amino-3-[4-[2-(2,6-dichloro-4-methylphenoxy)ethoxy]phenyl]propan-2-yl]-3-methylphenyl]phenyl]propyl]acetamide;3-[4-[2-(2,6-dichloro-4-methylphenoxy)ethoxy]phenyl]-2-[4-[6-methoxy-4-(3-methoxypropyl)-3-pyridinyl]-2-methylphenyl]propan-1-amine;3-[4-[2-(2,6-dichloro-4-methylphenoxy)ethoxy]phenyl]-2-[2-methyl-4-[2-[(prop-1-en-2-ylamino)methyl]phenyl]phenyl]propan-1-amine (PubChem CID 161004925) has the molecular formula C106H118Cl6N6O9 and a molecular weight of 1832.86 g/mol. Its IUPAC name is N-[3-[2-[4-[1-amino-3-[4-[2-(2,6-dichloro-4-methylphenoxy)ethoxy]phenyl]propan-2-yl]-3-methylphenyl]phenyl]propyl]acetamide;3-[4-[2-(2,6-dichloro-4-methylphenoxy)ethoxy]phenyl]-2-[4-[6-methoxy-4-(3-methoxypropyl)-3-pyridinyl]-2-methylphenyl]propan-1-amine;3-[4-[2-(2,6-dichloro-4-methylphenoxy)ethoxy]phenyl]-2-[2-methyl-4-[2-[(prop-1-en-2-ylamino)methyl]phenyl]phenyl]propan-1-amine.

Molecular Properties

• Compound Name: N-[3-[2-[4-[1-amino-3-[4-[2-(2,6-dichloro-4-methylphenoxy)ethoxy]phenyl]propan-2-yl]-3-methylphenyl]phenyl]propyl]acetamide;3-[4-[2-(2,6-dichloro-4-methylphenoxy)ethoxy]phenyl]-2-[4-[6-methoxy-4-(3-methoxypropyl)-3-pyridinyl]-2-methylphenyl]propan-1-amine;3-[4-[2-(2,6-dichloro-4-methylphenoxy)ethoxy]phenyl]-2-[2-methyl-4-[2-[(prop-1-en-2-ylamino)methyl]phenyl]phenyl]propan-1-amine
• PubChem CID: 161004925
• Molecular Formula: C106H118Cl6N6O9
• Molecular Weight: 1832.86 g/mol
• Exact Mass: 1828.71
• IUPAC Name: N-[3-[2-[4-[1-amino-3-[4-[2-(2,6-dichloro-4-methylphenoxy)ethoxy]phenyl]propan-2-yl]-3-methylphenyl]phenyl]propyl]acetamide;3-[4-[2-(2,6-dichloro-4-methylphenoxy)ethoxy]phenyl]-2-[4-[6-methoxy-4-(3-methoxypropyl)-3-pyridinyl]-2-methylphenyl]propan-1-amine;3-[4-[2-(2,6-dichloro-4-methylphenoxy)ethoxy]phenyl]-2-[2-methyl-4-[2-[(prop-1-en-2-ylamino)methyl]phenyl]phenyl]propan-1-amine
• SMILES: C=C(C)NCc1ccccc1-c1ccc(C(CN)Cc2ccc(OCCOc3c(Cl)cc(C)cc3Cl)cc2)c(C)c1.CC(=O)NCCCc1ccccc1-c1ccc(C(CN)Cc2ccc(OCCOc3c(Cl)cc(C)cc3Cl)cc2)c(C)c1.COCCCc1cc(OC)ncc1-c1ccc(C(CN)Cc2ccc(OCCOc3c(Cl)cc(C)cc3Cl)cc2)c(C)c1
• InChI: InChI=1S/C36H40Cl2N2O3.C35H40Cl2N2O4.C35H38Cl2N2O2/c1-24-19-34(37)36(35(38)20-24)43-18-17-42-31-13-10-27(11-14-31)22-30(23-39)32-15-12-29(21-25(32)2)33-9-5-4-7-28(33)8-6-16-40-26(3)41;1-23-16-32(36)35(33(37)17-23)43-15-14-42-29-10-7-25(8-11-29)19-28(21-38)30-12-9-27(18-24(30)2)31-22-39-34(41-4)20-26(31)6-5-13-40-3;1-23(2)39-22-28-7-5-6-8-32(28)27-11-14-31(25(4)19-27)29(21-38)20-26-9-12-30(13-10-26)40-15-16-41-35-33(36)17-24(3)18-34(35)37/h4-5,7,9-15,19-21,30H,6,8,16-18,22-23,39H2,1-3H3,(H,40,41);7-12,16-18,20,22,28H,5-6,13-15,19,21,38H2,1-4H3;5-14,17-19,29,39H,1,15-16,20-22,38H2,2-4H3
• InChIKey: TWJNIKQTTLPAHM-UHFFFAOYSA-N
• XLogP: 24.73
• TPSA: 205.92 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 14
• Rotatable Bonds: 42
• Heavy Atoms: 127
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1832.86
LogP ≤ 5	24.73
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-[4-[1-amino-3-[4-[2-(2,6-dichloro-4-methylphenoxy)ethoxy]phenyl]propan-2-yl]-3-methylphenyl]phenyl]propyl]acetamide;3-[4-[2-(2,6-dichloro-4-methylphenoxy)ethoxy]phenyl]-2-[4-[6-methoxy-4-(3-methoxypropyl)-3-pyridinyl]-2-methylphenyl]propan-1-amine;3-[4-[2-(2,6-dichloro-4-methylphenoxy)ethoxy]phenyl]-2-[2-methyl-4-[2-[(prop-1-en-2-ylamino)methyl]phenyl]phenyl]propan-1-amine?

The IUPAC name of N-[3-[2-[4-[1-amino-3-[4-[2-(2,6-dichloro-4-methylphenoxy)ethoxy]phenyl]propan-2-yl]-3-methylphenyl]phenyl]propyl]acetamide;3-[4-[2-(2,6-dichloro-4-methylphenoxy)ethoxy]phenyl]-2-[4-[6-methoxy-4-(3-methoxypropyl)-3-pyridinyl]-2-methylphenyl]propan-1-amine;3-[4-[2-(2,6-dichloro-4-methylphenoxy)ethoxy]phenyl]-2-[2-methyl-4-[2-[(prop-1-en-2-ylamino)methyl]phenyl]phenyl]propan-1-amine (CID 161004925) is N-[3-[2-[4-[1-amino-3-[4-[2-(2,6-dichloro-4-methylphenoxy)ethoxy]phenyl]propan-2-yl]-3-methylphenyl]phenyl]propyl]acetamide;3-[4-[2-(2,6-dichloro-4-methylphenoxy)ethoxy]phenyl]-2-[4-[6-methoxy-4-(3-methoxypropyl)-3-pyridinyl]-2-methylphenyl]propan-1-amine;3-[4-[2-(2,6-dichloro-4-methylphenoxy)ethoxy]phenyl]-2-[2-methyl-4-[2-[(prop-1-en-2-ylamino)methyl]phenyl]phenyl]propan-1-amine.

What is the SMILES notation for N-[3-[2-[4-[1-amino-3-[4-[2-(2,6-dichloro-4-methylphenoxy)ethoxy]phenyl]propan-2-yl]-3-methylphenyl]phenyl]propyl]acetamide;3-[4-[2-(2,6-dichloro-4-methylphenoxy)ethoxy]phenyl]-2-[4-[6-methoxy-4-(3-methoxypropyl)-3-pyridinyl]-2-methylphenyl]propan-1-amine;3-[4-[2-(2,6-dichloro-4-methylphenoxy)ethoxy]phenyl]-2-[2-methyl-4-[2-[(prop-1-en-2-ylamino)methyl]phenyl]phenyl]propan-1-amine?

The canonical SMILES for N-[3-[2-[4-[1-amino-3-[4-[2-(2,6-dichloro-4-methylphenoxy)ethoxy]phenyl]propan-2-yl]-3-methylphenyl]phenyl]propyl]acetamide;3-[4-[2-(2,6-dichloro-4-methylphenoxy)ethoxy]phenyl]-2-[4-[6-methoxy-4-(3-methoxypropyl)-3-pyridinyl]-2-methylphenyl]propan-1-amine;3-[4-[2-(2,6-dichloro-4-methylphenoxy)ethoxy]phenyl]-2-[2-methyl-4-[2-[(prop-1-en-2-ylamino)methyl]phenyl]phenyl]propan-1-amine is C=C(C)NCc1ccccc1-c1ccc(C(CN)Cc2ccc(OCCOc3c(Cl)cc(C)cc3Cl)cc2)c(C)c1.CC(=O)NCCCc1ccccc1-c1ccc(C(CN)Cc2ccc(OCCOc3c(Cl)cc(C)cc3Cl)cc2)c(C)c1.COCCCc1cc(OC)ncc1-c1ccc(C(CN)Cc2ccc(OCCOc3c(Cl)cc(C)cc3Cl)cc2)c(C)c1.

What is the InChIKey of N-[3-[2-[4-[1-amino-3-[4-[2-(2,6-dichloro-4-methylphenoxy)ethoxy]phenyl]propan-2-yl]-3-methylphenyl]phenyl]propyl]acetamide;3-[4-[2-(2,6-dichloro-4-methylphenoxy)ethoxy]phenyl]-2-[4-[6-methoxy-4-(3-methoxypropyl)-3-pyridinyl]-2-methylphenyl]propan-1-amine;3-[4-[2-(2,6-dichloro-4-methylphenoxy)ethoxy]phenyl]-2-[2-methyl-4-[2-[(prop-1-en-2-ylamino)methyl]phenyl]phenyl]propan-1-amine?

The InChIKey is TWJNIKQTTLPAHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H40Cl2N2O3.C35H40Cl2N2O4.C35H38Cl2N2O2/c1-24-19-34(37)36(35(38)20-24)43-18-17-42-31-13-10-27(11-14-31)22-30(23-39)32-15-12-29(21-25(32)2)33-9-5-4-7-28(33)8-6-16-40-26(3)41;1-23-16-32(36)35(33(37)17-23)43-15-14-42-29-10-7-25(8-11-29)19-28(21-38)30-12-9-27(18-24(30)2)31-22-39-34(41-4)20-26(31)6-5-13-40-3;1-23(2)39-22-28-7-5-6-8-32(28)27-11-14-31(25(4)19-27)29(21-38)20-26-9-12-30(13-10-26)40-15-16-41-35-33(36)17-24(3)18-34(35)37/h4-5,7,9-15,19-21,30H,6,8,16-18,22-23,39H2,1-3H3,(H,40,41);7-12,16-18,20,22,28H,5-6,13-15,19,21,38H2,1-4H3;5-14,17-19,29,39H,1,15-16,20-22,38H2,2-4H3.

What are the key properties of N-[3-[2-[4-[1-amino-3-[4-[2-(2,6-dichloro-4-methylphenoxy)ethoxy]phenyl]propan-2-yl]-3-methylphenyl]phenyl]propyl]acetamide;3-[4-[2-(2,6-dichloro-4-methylphenoxy)ethoxy]phenyl]-2-[4-[6-methoxy-4-(3-methoxypropyl)-3-pyridinyl]-2-methylphenyl]propan-1-amine;3-[4-[2-(2,6-dichloro-4-methylphenoxy)ethoxy]phenyl]-2-[2-methyl-4-[2-[(prop-1-en-2-ylamino)methyl]phenyl]phenyl]propan-1-amine?

N-[3-[2-[4-[1-amino-3-[4-[2-(2,6-dichloro-4-methylphenoxy)ethoxy]phenyl]propan-2-yl]-3-methylphenyl]phenyl]propyl]acetamide;3-[4-[2-(2,6-dichloro-4-methylphenoxy)ethoxy]phenyl]-2-[4-[6-methoxy-4-(3-methoxypropyl)-3-pyridinyl]-2-methylphenyl]propan-1-amine;3-[4-[2-(2,6-dichloro-4-methylphenoxy)ethoxy]phenyl]-2-[2-methyl-4-[2-[(prop-1-en-2-ylamino)methyl]phenyl]phenyl]propan-1-amine has a molecular weight of 1832.86 g/mol, XLogP of 24.73, 42 rotatable bonds, 5 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[2-[4-[1-amino-3-[4-[2-(2,6-dichloro-4-methylphenoxy)ethoxy]phenyl]propan-2-yl]-3-methylphenyl]phenyl]propyl]acetamide;3-[4-[2-(2,6-dichloro-4-methylphenoxy)ethoxy]phenyl]-2-[4-[6-methoxy-4-(3-methoxypropyl)-3-pyridinyl]-2-methylphenyl]propan-1-amine;3-[4-[2-(2,6-dichloro-4-methylphenoxy)ethoxy]phenyl]-2-[2-methyl-4-[2-[(prop-1-en-2-ylamino)methyl]phenyl]phenyl]propan-1-amine is sourced from PubChem (CID 161004925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).