1,3-dichloro-5-methylbenzene;N,N-dimethyl-2-(4-methylanilino)acetamide;2-[2-hydroxyethyl-[(3-methylphenyl)methyl]amino]ethanol;2-(4-methylanilino)acetamide;2-(4-methylphenoxy)acetamide;2-(4-methylphenoxy)ethyl acetate;2-(4-methylphenoxy)ethylurea;3-(4-methylphenoxy)propanamide;(4-methylphenyl)methanamine;4-[(3-methylphenyl)methyl]morpholine;1,2,3-trimethylbenzene;2,4,6-trimethylpyridine

C116H156Cl2N12O14 — CID 160977684

About 1,3-dichloro-5-methylbenzene;N,N-dimethyl-2-(4-methylanilino)acetamide;2-[2-hydroxyethyl-[(3-methylphenyl)methyl]amino]ethanol;2-(4-methylanilino)acetamide;2-(4-methylphenoxy)acetamide;2-(4-methylphenoxy)ethyl acetate;2-(4-methylphenoxy)ethylurea;3-(4-methylphenoxy)propanamide;(4-methylphenyl)methanamine;4-[(3-methylphenyl)methyl]morpholine;1,2,3-trimethylbenzene;2,4,6-trimethylpyridine

1,3-dichloro-5-methylbenzene;N,N-dimethyl-2-(4-methylanilino)acetamide;2-[2-hydroxyethyl-[(3-methylphenyl)methyl]amino]ethanol;2-(4-methylanilino)acetamide;2-(4-methylphenoxy)acetamide;2-(4-methylphenoxy)ethyl acetate;2-(4-methylphenoxy)ethylurea;3-(4-methylphenoxy)propanamide;(4-methylphenyl)methanamine;4-[(3-methylphenyl)methyl]morpholine;1,2,3-trimethylbenzene;2,4,6-trimethylpyridine (PubChem CID 160977684) has the molecular formula C116H156Cl2N12O14 and a molecular weight of 2013.50 g/mol. Its IUPAC name is 1,3-dichloro-5-methylbenzene;N,N-dimethyl-2-(4-methylanilino)acetamide;2-[2-hydroxyethyl-[(3-methylphenyl)methyl]amino]ethanol;2-(4-methylanilino)acetamide;2-(4-methylphenoxy)acetamide;2-(4-methylphenoxy)ethyl acetate;2-(4-methylphenoxy)ethylurea;3-(4-methylphenoxy)propanamide;(4-methylphenyl)methanamine;4-[(3-methylphenyl)methyl]morpholine;1,2,3-trimethylbenzene;2,4,6-trimethylpyridine.

Molecular Properties

• Compound Name: 1,3-dichloro-5-methylbenzene;N,N-dimethyl-2-(4-methylanilino)acetamide;2-[2-hydroxyethyl-[(3-methylphenyl)methyl]amino]ethanol;2-(4-methylanilino)acetamide;2-(4-methylphenoxy)acetamide;2-(4-methylphenoxy)ethyl acetate;2-(4-methylphenoxy)ethylurea;3-(4-methylphenoxy)propanamide;(4-methylphenyl)methanamine;4-[(3-methylphenyl)methyl]morpholine;1,2,3-trimethylbenzene;2,4,6-trimethylpyridine
• PubChem CID: 160977684
• Molecular Formula: C116H156Cl2N12O14
• Molecular Weight: 2013.50 g/mol
• Exact Mass: 2011.12
• IUPAC Name: 1,3-dichloro-5-methylbenzene;N,N-dimethyl-2-(4-methylanilino)acetamide;2-[2-hydroxyethyl-[(3-methylphenyl)methyl]amino]ethanol;2-(4-methylanilino)acetamide;2-(4-methylphenoxy)acetamide;2-(4-methylphenoxy)ethyl acetate;2-(4-methylphenoxy)ethylurea;3-(4-methylphenoxy)propanamide;(4-methylphenyl)methanamine;4-[(3-methylphenyl)methyl]morpholine;1,2,3-trimethylbenzene;2,4,6-trimethylpyridine
• SMILES: CC(=O)OCCOc1ccc(C)cc1.Cc1cc(C)nc(C)c1.Cc1cc(Cl)cc(Cl)c1.Cc1ccc(CN)cc1.Cc1ccc(NCC(=O)N(C)C)cc1.Cc1ccc(NCC(N)=O)cc1.Cc1ccc(OCC(N)=O)cc1.Cc1ccc(OCCC(N)=O)cc1.Cc1ccc(OCCNC(N)=O)cc1.Cc1cccc(C)c1C.Cc1cccc(CN(CCO)CCO)c1.Cc1cccc(CN2CCOCC2)c1
• InChI: InChI=1S/C12H19NO2.C12H17NO.C11H16N2O.C11H14O3.C10H14N2O2.C10H13NO2.C9H12N2O.C9H11NO2.C9H12.2C8H11N.C7H6Cl2/c1-11-3-2-4-12(9-11)10-13(5-7-14)6-8-15;1-11-3-2-4-12(9-11)10-13-5-7-14-8-6-13;1-9-4-6-10(7-5-9)12-8-11(14)13(2)3;1-9-3-5-11(6-4-9)14-8-7-13-10(2)12;1-8-2-4-9(5-3-8)14-7-6-12-10(11)13;1-8-2-4-9(5-3-8)13-7-6-10(11)12;1-7-2-4-8(5-3-7)11-6-9(10)12;1-7-2-4-8(5-3-7)12-6-9(10)11;1-7-5-4-6-8(2)9(7)3;1-6-4-7(2)9-8(3)5-6;1-7-2-4-8(6-9)5-3-7;1-5-2-6(8)4-7(9)3-5/h2-4,9,14-15H,5-8,10H2,1H3;2-4,9H,5-8,10H2,1H3;4-7,12H,8H2,1-3H3;3-6H,7-8H2,1-2H3;2-5H,6-7H2,1H3,(H3,11,12,13);2-5H,6-7H2,1H3,(H2,11,12);2-5,11H,6H2,1H3,(H2,10,12);2-5H,6H2,1H3,(H2,10,11);4-6H,1-3H3;4-5H,1-3H3;2-5H,6,9H2,1H3;2-4H,1H3
• InChIKey: SZBYCJKDUHPLJR-UHFFFAOYSA-N
• XLogP: 19.46
• TPSA: 387.06 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 20
• Rotatable Bonds: 30
• Heavy Atoms: 144
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2013.50
LogP ≤ 5	19.46
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1,3-dichloro-5-methylbenzene;N,N-dimethyl-2-(4-methylanilino)acetamide;2-[2-hydroxyethyl-[(3-methylphenyl)methyl]amino]ethanol;2-(4-methylanilino)acetamide;2-(4-methylphenoxy)acetamide;2-(4-methylphenoxy)ethyl acetate;2-(4-methylphenoxy)ethylurea;3-(4-methylphenoxy)propanamide;(4-methylphenyl)methanamine;4-[(3-methylphenyl)methyl]morpholine;1,2,3-trimethylbenzene;2,4,6-trimethylpyridine?

The IUPAC name of 1,3-dichloro-5-methylbenzene;N,N-dimethyl-2-(4-methylanilino)acetamide;2-[2-hydroxyethyl-[(3-methylphenyl)methyl]amino]ethanol;2-(4-methylanilino)acetamide;2-(4-methylphenoxy)acetamide;2-(4-methylphenoxy)ethyl acetate;2-(4-methylphenoxy)ethylurea;3-(4-methylphenoxy)propanamide;(4-methylphenyl)methanamine;4-[(3-methylphenyl)methyl]morpholine;1,2,3-trimethylbenzene;2,4,6-trimethylpyridine (CID 160977684) is 1,3-dichloro-5-methylbenzene;N,N-dimethyl-2-(4-methylanilino)acetamide;2-[2-hydroxyethyl-[(3-methylphenyl)methyl]amino]ethanol;2-(4-methylanilino)acetamide;2-(4-methylphenoxy)acetamide;2-(4-methylphenoxy)ethyl acetate;2-(4-methylphenoxy)ethylurea;3-(4-methylphenoxy)propanamide;(4-methylphenyl)methanamine;4-[(3-methylphenyl)methyl]morpholine;1,2,3-trimethylbenzene;2,4,6-trimethylpyridine.

What is the SMILES notation for 1,3-dichloro-5-methylbenzene;N,N-dimethyl-2-(4-methylanilino)acetamide;2-[2-hydroxyethyl-[(3-methylphenyl)methyl]amino]ethanol;2-(4-methylanilino)acetamide;2-(4-methylphenoxy)acetamide;2-(4-methylphenoxy)ethyl acetate;2-(4-methylphenoxy)ethylurea;3-(4-methylphenoxy)propanamide;(4-methylphenyl)methanamine;4-[(3-methylphenyl)methyl]morpholine;1,2,3-trimethylbenzene;2,4,6-trimethylpyridine?

The canonical SMILES for 1,3-dichloro-5-methylbenzene;N,N-dimethyl-2-(4-methylanilino)acetamide;2-[2-hydroxyethyl-[(3-methylphenyl)methyl]amino]ethanol;2-(4-methylanilino)acetamide;2-(4-methylphenoxy)acetamide;2-(4-methylphenoxy)ethyl acetate;2-(4-methylphenoxy)ethylurea;3-(4-methylphenoxy)propanamide;(4-methylphenyl)methanamine;4-[(3-methylphenyl)methyl]morpholine;1,2,3-trimethylbenzene;2,4,6-trimethylpyridine is CC(=O)OCCOc1ccc(C)cc1.Cc1cc(C)nc(C)c1.Cc1cc(Cl)cc(Cl)c1.Cc1ccc(CN)cc1.Cc1ccc(NCC(=O)N(C)C)cc1.Cc1ccc(NCC(N)=O)cc1.Cc1ccc(OCC(N)=O)cc1.Cc1ccc(OCCC(N)=O)cc1.Cc1ccc(OCCNC(N)=O)cc1.Cc1cccc(C)c1C.Cc1cccc(CN(CCO)CCO)c1.Cc1cccc(CN2CCOCC2)c1.

What is the InChIKey of 1,3-dichloro-5-methylbenzene;N,N-dimethyl-2-(4-methylanilino)acetamide;2-[2-hydroxyethyl-[(3-methylphenyl)methyl]amino]ethanol;2-(4-methylanilino)acetamide;2-(4-methylphenoxy)acetamide;2-(4-methylphenoxy)ethyl acetate;2-(4-methylphenoxy)ethylurea;3-(4-methylphenoxy)propanamide;(4-methylphenyl)methanamine;4-[(3-methylphenyl)methyl]morpholine;1,2,3-trimethylbenzene;2,4,6-trimethylpyridine?

The InChIKey is SZBYCJKDUHPLJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2.C12H17NO.C11H16N2O.C11H14O3.C10H14N2O2.C10H13NO2.C9H12N2O.C9H11NO2.C9H12.2C8H11N.C7H6Cl2/c1-11-3-2-4-12(9-11)10-13(5-7-14)6-8-15;1-11-3-2-4-12(9-11)10-13-5-7-14-8-6-13;1-9-4-6-10(7-5-9)12-8-11(14)13(2)3;1-9-3-5-11(6-4-9)14-8-7-13-10(2)12;1-8-2-4-9(5-3-8)14-7-6-12-10(11)13;1-8-2-4-9(5-3-8)13-7-6-10(11)12;1-7-2-4-8(5-3-7)11-6-9(10)12;1-7-2-4-8(5-3-7)12-6-9(10)11;1-7-5-4-6-8(2)9(7)3;1-6-4-7(2)9-8(3)5-6;1-7-2-4-8(6-9)5-3-7;1-5-2-6(8)4-7(9)3-5/h2-4,9,14-15H,5-8,10H2,1H3;2-4,9H,5-8,10H2,1H3;4-7,12H,8H2,1-3H3;3-6H,7-8H2,1-2H3;2-5H,6-7H2,1H3,(H3,11,12,13);2-5H,6-7H2,1H3,(H2,11,12);2-5,11H,6H2,1H3,(H2,10,12);2-5H,6H2,1H3,(H2,10,11);4-6H,1-3H3;4-5H,1-3H3;2-5H,6,9H2,1H3;2-4H,1H3.

What are the key properties of 1,3-dichloro-5-methylbenzene;N,N-dimethyl-2-(4-methylanilino)acetamide;2-[2-hydroxyethyl-[(3-methylphenyl)methyl]amino]ethanol;2-(4-methylanilino)acetamide;2-(4-methylphenoxy)acetamide;2-(4-methylphenoxy)ethyl acetate;2-(4-methylphenoxy)ethylurea;3-(4-methylphenoxy)propanamide;(4-methylphenyl)methanamine;4-[(3-methylphenyl)methyl]morpholine;1,2,3-trimethylbenzene;2,4,6-trimethylpyridine?

1,3-dichloro-5-methylbenzene;N,N-dimethyl-2-(4-methylanilino)acetamide;2-[2-hydroxyethyl-[(3-methylphenyl)methyl]amino]ethanol;2-(4-methylanilino)acetamide;2-(4-methylphenoxy)acetamide;2-(4-methylphenoxy)ethyl acetate;2-(4-methylphenoxy)ethylurea;3-(4-methylphenoxy)propanamide;(4-methylphenyl)methanamine;4-[(3-methylphenyl)methyl]morpholine;1,2,3-trimethylbenzene;2,4,6-trimethylpyridine has a molecular weight of 2013.50 g/mol, XLogP of 19.46, 30 rotatable bonds, 10 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 1,3-dichloro-5-methylbenzene;N,N-dimethyl-2-(4-methylanilino)acetamide;2-[2-hydroxyethyl-[(3-methylphenyl)methyl]amino]ethanol;2-(4-methylanilino)acetamide;2-(4-methylphenoxy)acetamide;2-(4-methylphenoxy)ethyl acetate;2-(4-methylphenoxy)ethylurea;3-(4-methylphenoxy)propanamide;(4-methylphenyl)methanamine;4-[(3-methylphenyl)methyl]morpholine;1,2,3-trimethylbenzene;2,4,6-trimethylpyridine is sourced from PubChem (CID 160977684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).