2-[(2-chloro-4,5-dimethylphenoxy)methyl]aniline;2-[(5-chloro-2,4-dimethylphenoxy)methyl]aniline;2-[(2-chloro-4-methylphenoxy)methyl]aniline;2-[(2,5-dichloro-4-methylphenoxy)methyl]aniline;2-[(2,4-dimethylphenoxy)methyl]aniline;2-[(2-ethyl-4-methylphenoxy)methyl]aniline;2-[(2,4,5-trimethylphenoxy)methyl]aniline

C105H114Cl5N7O7 — CID 159037696

About 2-[(2-chloro-4,5-dimethylphenoxy)methyl]aniline;2-[(5-chloro-2,4-dimethylphenoxy)methyl]aniline;2-[(2-chloro-4-methylphenoxy)methyl]aniline;2-[(2,5-dichloro-4-methylphenoxy)methyl]aniline;2-[(2,4-dimethylphenoxy)methyl]aniline;2-[(2-ethyl-4-methylphenoxy)methyl]aniline;2-[(2,4,5-trimethylphenoxy)methyl]aniline

2-[(2-chloro-4,5-dimethylphenoxy)methyl]aniline;2-[(5-chloro-2,4-dimethylphenoxy)methyl]aniline;2-[(2-chloro-4-methylphenoxy)methyl]aniline;2-[(2,5-dichloro-4-methylphenoxy)methyl]aniline;2-[(2,4-dimethylphenoxy)methyl]aniline;2-[(2-ethyl-4-methylphenoxy)methyl]aniline;2-[(2,4,5-trimethylphenoxy)methyl]aniline (PubChem CID 159037696) has the molecular formula C105H114Cl5N7O7 and a molecular weight of 1763.37 g/mol. Its IUPAC name is 2-[(2-chloro-4,5-dimethylphenoxy)methyl]aniline;2-[(5-chloro-2,4-dimethylphenoxy)methyl]aniline;2-[(2-chloro-4-methylphenoxy)methyl]aniline;2-[(2,5-dichloro-4-methylphenoxy)methyl]aniline;2-[(2,4-dimethylphenoxy)methyl]aniline;2-[(2-ethyl-4-methylphenoxy)methyl]aniline;2-[(2,4,5-trimethylphenoxy)methyl]aniline.

Molecular Properties

• Compound Name: 2-[(2-chloro-4,5-dimethylphenoxy)methyl]aniline;2-[(5-chloro-2,4-dimethylphenoxy)methyl]aniline;2-[(2-chloro-4-methylphenoxy)methyl]aniline;2-[(2,5-dichloro-4-methylphenoxy)methyl]aniline;2-[(2,4-dimethylphenoxy)methyl]aniline;2-[(2-ethyl-4-methylphenoxy)methyl]aniline;2-[(2,4,5-trimethylphenoxy)methyl]aniline
• PubChem CID: 159037696
• Molecular Formula: C105H114Cl5N7O7
• Molecular Weight: 1763.37 g/mol
• Exact Mass: 1759.72
• IUPAC Name: 2-[(2-chloro-4,5-dimethylphenoxy)methyl]aniline;2-[(5-chloro-2,4-dimethylphenoxy)methyl]aniline;2-[(2-chloro-4-methylphenoxy)methyl]aniline;2-[(2,5-dichloro-4-methylphenoxy)methyl]aniline;2-[(2,4-dimethylphenoxy)methyl]aniline;2-[(2-ethyl-4-methylphenoxy)methyl]aniline;2-[(2,4,5-trimethylphenoxy)methyl]aniline
• SMILES: CCc1cc(C)ccc1OCc1ccccc1N.Cc1cc(C)c(OCc2ccccc2N)cc1C.Cc1cc(C)c(OCc2ccccc2N)cc1Cl.Cc1cc(Cl)c(OCc2ccccc2N)cc1C.Cc1cc(Cl)c(OCc2ccccc2N)cc1Cl.Cc1ccc(OCc2ccccc2N)c(C)c1.Cc1ccc(OCc2ccccc2N)c(Cl)c1
• InChI: InChI=1S/2C16H19NO.2C15H16ClNO.C15H17NO.C14H13Cl2NO.C14H14ClNO/c1-11-8-13(3)16(9-12(11)2)18-10-14-6-4-5-7-15(14)17;1-3-13-10-12(2)8-9-16(13)18-11-14-6-4-5-7-15(14)17;1-10-7-13(16)15(8-11(10)2)18-9-12-5-3-4-6-14(12)17;1-10-7-11(2)15(8-13(10)16)18-9-12-5-3-4-6-14(12)17;1-11-7-8-15(12(2)9-11)17-10-13-5-3-4-6-14(13)16;1-9-6-12(16)14(7-11(9)15)18-8-10-4-2-3-5-13(10)17;1-10-6-7-14(12(15)8-10)17-9-11-4-2-3-5-13(11)16/h4-9H,10,17H2,1-3H3;4-10H,3,11,17H2,1-2H3;2*3-8H,9,17H2,1-2H3;3-9H,10,16H2,1-2H3;2-7H,8,17H2,1H3;2-8H,9,16H2,1H3
• InChIKey: JVQUOHYHAWOOJJ-UHFFFAOYSA-N
• XLogP: 27.47
• TPSA: 246.75 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 14
• Rotatable Bonds: 22
• Heavy Atoms: 124
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1763.37
LogP ≤ 5	27.47
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-4,5-dimethylphenoxy)methyl]aniline;2-[(5-chloro-2,4-dimethylphenoxy)methyl]aniline;2-[(2-chloro-4-methylphenoxy)methyl]aniline;2-[(2,5-dichloro-4-methylphenoxy)methyl]aniline;2-[(2,4-dimethylphenoxy)methyl]aniline;2-[(2-ethyl-4-methylphenoxy)methyl]aniline;2-[(2,4,5-trimethylphenoxy)methyl]aniline?

The IUPAC name of 2-[(2-chloro-4,5-dimethylphenoxy)methyl]aniline;2-[(5-chloro-2,4-dimethylphenoxy)methyl]aniline;2-[(2-chloro-4-methylphenoxy)methyl]aniline;2-[(2,5-dichloro-4-methylphenoxy)methyl]aniline;2-[(2,4-dimethylphenoxy)methyl]aniline;2-[(2-ethyl-4-methylphenoxy)methyl]aniline;2-[(2,4,5-trimethylphenoxy)methyl]aniline (CID 159037696) is 2-[(2-chloro-4,5-dimethylphenoxy)methyl]aniline;2-[(5-chloro-2,4-dimethylphenoxy)methyl]aniline;2-[(2-chloro-4-methylphenoxy)methyl]aniline;2-[(2,5-dichloro-4-methylphenoxy)methyl]aniline;2-[(2,4-dimethylphenoxy)methyl]aniline;2-[(2-ethyl-4-methylphenoxy)methyl]aniline;2-[(2,4,5-trimethylphenoxy)methyl]aniline.

What is the SMILES notation for 2-[(2-chloro-4,5-dimethylphenoxy)methyl]aniline;2-[(5-chloro-2,4-dimethylphenoxy)methyl]aniline;2-[(2-chloro-4-methylphenoxy)methyl]aniline;2-[(2,5-dichloro-4-methylphenoxy)methyl]aniline;2-[(2,4-dimethylphenoxy)methyl]aniline;2-[(2-ethyl-4-methylphenoxy)methyl]aniline;2-[(2,4,5-trimethylphenoxy)methyl]aniline?

The canonical SMILES for 2-[(2-chloro-4,5-dimethylphenoxy)methyl]aniline;2-[(5-chloro-2,4-dimethylphenoxy)methyl]aniline;2-[(2-chloro-4-methylphenoxy)methyl]aniline;2-[(2,5-dichloro-4-methylphenoxy)methyl]aniline;2-[(2,4-dimethylphenoxy)methyl]aniline;2-[(2-ethyl-4-methylphenoxy)methyl]aniline;2-[(2,4,5-trimethylphenoxy)methyl]aniline is CCc1cc(C)ccc1OCc1ccccc1N.Cc1cc(C)c(OCc2ccccc2N)cc1C.Cc1cc(C)c(OCc2ccccc2N)cc1Cl.Cc1cc(Cl)c(OCc2ccccc2N)cc1C.Cc1cc(Cl)c(OCc2ccccc2N)cc1Cl.Cc1ccc(OCc2ccccc2N)c(C)c1.Cc1ccc(OCc2ccccc2N)c(Cl)c1.

What is the InChIKey of 2-[(2-chloro-4,5-dimethylphenoxy)methyl]aniline;2-[(5-chloro-2,4-dimethylphenoxy)methyl]aniline;2-[(2-chloro-4-methylphenoxy)methyl]aniline;2-[(2,5-dichloro-4-methylphenoxy)methyl]aniline;2-[(2,4-dimethylphenoxy)methyl]aniline;2-[(2-ethyl-4-methylphenoxy)methyl]aniline;2-[(2,4,5-trimethylphenoxy)methyl]aniline?

The InChIKey is JVQUOHYHAWOOJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C16H19NO.2C15H16ClNO.C15H17NO.C14H13Cl2NO.C14H14ClNO/c1-11-8-13(3)16(9-12(11)2)18-10-14-6-4-5-7-15(14)17;1-3-13-10-12(2)8-9-16(13)18-11-14-6-4-5-7-15(14)17;1-10-7-13(16)15(8-11(10)2)18-9-12-5-3-4-6-14(12)17;1-10-7-11(2)15(8-13(10)16)18-9-12-5-3-4-6-14(12)17;1-11-7-8-15(12(2)9-11)17-10-13-5-3-4-6-14(13)16;1-9-6-12(16)14(7-11(9)15)18-8-10-4-2-3-5-13(10)17;1-10-6-7-14(12(15)8-10)17-9-11-4-2-3-5-13(11)16/h4-9H,10,17H2,1-3H3;4-10H,3,11,17H2,1-2H3;2*3-8H,9,17H2,1-2H3;3-9H,10,16H2,1-2H3;2-7H,8,17H2,1H3;2-8H,9,16H2,1H3.

What are the key properties of 2-[(2-chloro-4,5-dimethylphenoxy)methyl]aniline;2-[(5-chloro-2,4-dimethylphenoxy)methyl]aniline;2-[(2-chloro-4-methylphenoxy)methyl]aniline;2-[(2,5-dichloro-4-methylphenoxy)methyl]aniline;2-[(2,4-dimethylphenoxy)methyl]aniline;2-[(2-ethyl-4-methylphenoxy)methyl]aniline;2-[(2,4,5-trimethylphenoxy)methyl]aniline?

2-[(2-chloro-4,5-dimethylphenoxy)methyl]aniline;2-[(5-chloro-2,4-dimethylphenoxy)methyl]aniline;2-[(2-chloro-4-methylphenoxy)methyl]aniline;2-[(2,5-dichloro-4-methylphenoxy)methyl]aniline;2-[(2,4-dimethylphenoxy)methyl]aniline;2-[(2-ethyl-4-methylphenoxy)methyl]aniline;2-[(2,4,5-trimethylphenoxy)methyl]aniline has a molecular weight of 1763.37 g/mol, XLogP of 27.47, 22 rotatable bonds, 7 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(2-chloro-4,5-dimethylphenoxy)methyl]aniline;2-[(5-chloro-2,4-dimethylphenoxy)methyl]aniline;2-[(2-chloro-4-methylphenoxy)methyl]aniline;2-[(2,5-dichloro-4-methylphenoxy)methyl]aniline;2-[(2,4-dimethylphenoxy)methyl]aniline;2-[(2-ethyl-4-methylphenoxy)methyl]aniline;2-[(2,4,5-trimethylphenoxy)methyl]aniline is sourced from PubChem (CID 159037696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).