4-(aminomethyl)-3-methylbenzaldehyde;2-chloro-5-methylaniline;1-chloro-3-methylbenzene;1-chloro-4-methylbenzene;3-chloro-6-methylpyridin-2-amine;(2-fluoro-6-methylphenyl)methanamine;(3-fluoro-2-methylphenyl)methanamine;(4-fluoro-2-methylphenyl)methanamine;(5-fluoro-2-methylphenyl)methanamine;1-methoxy-4-methylbenzene;(5-methoxy-2-methylphenyl)methanamine;3-methylbenzamide;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine;(4-methylphenyl)methanamine;4-methylpyridin-2-amine;6-methylpyridin-2-amine

C129H161Cl4F4N17O4 — CID 158540684

About 4-(aminomethyl)-3-methylbenzaldehyde;2-chloro-5-methylaniline;1-chloro-3-methylbenzene;1-chloro-4-methylbenzene;3-chloro-6-methylpyridin-2-amine;(2-fluoro-6-methylphenyl)methanamine;(3-fluoro-2-methylphenyl)methanamine;(4-fluoro-2-methylphenyl)methanamine;(5-fluoro-2-methylphenyl)methanamine;1-methoxy-4-methylbenzene;(5-methoxy-2-methylphenyl)methanamine;3-methylbenzamide;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine;(4-methylphenyl)methanamine;4-methylpyridin-2-amine;6-methylpyridin-2-amine

4-(aminomethyl)-3-methylbenzaldehyde;2-chloro-5-methylaniline;1-chloro-3-methylbenzene;1-chloro-4-methylbenzene;3-chloro-6-methylpyridin-2-amine;(2-fluoro-6-methylphenyl)methanamine;(3-fluoro-2-methylphenyl)methanamine;(4-fluoro-2-methylphenyl)methanamine;(5-fluoro-2-methylphenyl)methanamine;1-methoxy-4-methylbenzene;(5-methoxy-2-methylphenyl)methanamine;3-methylbenzamide;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine;(4-methylphenyl)methanamine;4-methylpyridin-2-amine;6-methylpyridin-2-amine (PubChem CID 158540684) has the molecular formula C129H161Cl4F4N17O4 and a molecular weight of 2231.63 g/mol. Its IUPAC name is 4-(aminomethyl)-3-methylbenzaldehyde;2-chloro-5-methylaniline;1-chloro-3-methylbenzene;1-chloro-4-methylbenzene;3-chloro-6-methylpyridin-2-amine;(2-fluoro-6-methylphenyl)methanamine;(3-fluoro-2-methylphenyl)methanamine;(4-fluoro-2-methylphenyl)methanamine;(5-fluoro-2-methylphenyl)methanamine;1-methoxy-4-methylbenzene;(5-methoxy-2-methylphenyl)methanamine;3-methylbenzamide;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine;(4-methylphenyl)methanamine;4-methylpyridin-2-amine;6-methylpyridin-2-amine.

Molecular Properties

• Compound Name: 4-(aminomethyl)-3-methylbenzaldehyde;2-chloro-5-methylaniline;1-chloro-3-methylbenzene;1-chloro-4-methylbenzene;3-chloro-6-methylpyridin-2-amine;(2-fluoro-6-methylphenyl)methanamine;(3-fluoro-2-methylphenyl)methanamine;(4-fluoro-2-methylphenyl)methanamine;(5-fluoro-2-methylphenyl)methanamine;1-methoxy-4-methylbenzene;(5-methoxy-2-methylphenyl)methanamine;3-methylbenzamide;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine;(4-methylphenyl)methanamine;4-methylpyridin-2-amine;6-methylpyridin-2-amine
• PubChem CID: 158540684
• Molecular Formula: C129H161Cl4F4N17O4
• Molecular Weight: 2231.63 g/mol
• Exact Mass: 2228.16
• IUPAC Name: 4-(aminomethyl)-3-methylbenzaldehyde;2-chloro-5-methylaniline;1-chloro-3-methylbenzene;1-chloro-4-methylbenzene;3-chloro-6-methylpyridin-2-amine;(2-fluoro-6-methylphenyl)methanamine;(3-fluoro-2-methylphenyl)methanamine;(4-fluoro-2-methylphenyl)methanamine;(5-fluoro-2-methylphenyl)methanamine;1-methoxy-4-methylbenzene;(5-methoxy-2-methylphenyl)methanamine;3-methylbenzamide;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine;(4-methylphenyl)methanamine;4-methylpyridin-2-amine;6-methylpyridin-2-amine
• SMILES: COc1ccc(C)c(CN)c1.COc1ccc(C)cc1.Cc1c(F)cccc1CN.Cc1cc(C=O)ccc1CN.Cc1cc(F)ccc1CN.Cc1ccc(CN)cc1.Cc1ccc(Cl)c(N)c1.Cc1ccc(Cl)c(N)n1.Cc1ccc(Cl)cc1.Cc1ccc(F)cc1CN.Cc1cccc(C(N)=O)c1.Cc1cccc(CN)c1.Cc1cccc(Cl)c1.Cc1cccc(F)c1CN.Cc1cccc(N)n1.Cc1ccccc1CN.Cc1ccnc(N)c1
• InChI: InChI=1S/C9H13NO.C9H11NO.4C8H10FN.C8H9NO.3C8H11N.C8H10O.C7H8ClN.2C7H7Cl.C6H7ClN2.2C6H8N2/c1-7-3-4-9(11-2)5-8(7)6-10;1-7-4-8(6-11)2-3-9(7)5-10;1-6-4-8(9)3-2-7(6)5-10;1-6-2-3-8(9)4-7(6)5-10;1-6-7(5-10)3-2-4-8(6)9;1-6-3-2-4-8(9)7(6)5-10;1-6-3-2-4-7(5-6)8(9)10;1-7-2-4-8(6-9)5-3-7;1-7-3-2-4-8(5-7)6-9;1-7-4-2-3-5-8(7)6-9;1-7-3-5-8(9-2)6-4-7;1-5-2-3-6(8)7(9)4-5;1-6-2-4-7(8)5-3-6;1-6-3-2-4-7(8)5-6;1-4-2-3-5(7)6(8)9-4;1-5-2-3-8-6(7)4-5;1-5-3-2-4-6(7)8-5/h3-5H,6,10H2,1-2H3;2-4,6H,5,10H2,1H3;4*2-4H,5,10H2,1H3;2-5H,1H3,(H2,9,10);3*2-5H,6,9H2,1H3;3-6H,1-2H3;2-4H,9H2,1H3;2*2-5H,1H3;2-3H,1H3,(H2,8,9);2*2-4H,1H3,(H2,7,8)
• InChIKey: HOMBEGNUHCIEDH-UHFFFAOYSA-N
• XLogP: 27.66
• TPSA: 455.55 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 20
• Rotatable Bonds: 13
• Heavy Atoms: 158
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2231.63
LogP ≤ 5	27.66
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-3-methylbenzaldehyde;2-chloro-5-methylaniline;1-chloro-3-methylbenzene;1-chloro-4-methylbenzene;3-chloro-6-methylpyridin-2-amine;(2-fluoro-6-methylphenyl)methanamine;(3-fluoro-2-methylphenyl)methanamine;(4-fluoro-2-methylphenyl)methanamine;(5-fluoro-2-methylphenyl)methanamine;1-methoxy-4-methylbenzene;(5-methoxy-2-methylphenyl)methanamine;3-methylbenzamide;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine;(4-methylphenyl)methanamine;4-methylpyridin-2-amine;6-methylpyridin-2-amine?

The IUPAC name of 4-(aminomethyl)-3-methylbenzaldehyde;2-chloro-5-methylaniline;1-chloro-3-methylbenzene;1-chloro-4-methylbenzene;3-chloro-6-methylpyridin-2-amine;(2-fluoro-6-methylphenyl)methanamine;(3-fluoro-2-methylphenyl)methanamine;(4-fluoro-2-methylphenyl)methanamine;(5-fluoro-2-methylphenyl)methanamine;1-methoxy-4-methylbenzene;(5-methoxy-2-methylphenyl)methanamine;3-methylbenzamide;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine;(4-methylphenyl)methanamine;4-methylpyridin-2-amine;6-methylpyridin-2-amine (CID 158540684) is 4-(aminomethyl)-3-methylbenzaldehyde;2-chloro-5-methylaniline;1-chloro-3-methylbenzene;1-chloro-4-methylbenzene;3-chloro-6-methylpyridin-2-amine;(2-fluoro-6-methylphenyl)methanamine;(3-fluoro-2-methylphenyl)methanamine;(4-fluoro-2-methylphenyl)methanamine;(5-fluoro-2-methylphenyl)methanamine;1-methoxy-4-methylbenzene;(5-methoxy-2-methylphenyl)methanamine;3-methylbenzamide;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine;(4-methylphenyl)methanamine;4-methylpyridin-2-amine;6-methylpyridin-2-amine.

What is the SMILES notation for 4-(aminomethyl)-3-methylbenzaldehyde;2-chloro-5-methylaniline;1-chloro-3-methylbenzene;1-chloro-4-methylbenzene;3-chloro-6-methylpyridin-2-amine;(2-fluoro-6-methylphenyl)methanamine;(3-fluoro-2-methylphenyl)methanamine;(4-fluoro-2-methylphenyl)methanamine;(5-fluoro-2-methylphenyl)methanamine;1-methoxy-4-methylbenzene;(5-methoxy-2-methylphenyl)methanamine;3-methylbenzamide;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine;(4-methylphenyl)methanamine;4-methylpyridin-2-amine;6-methylpyridin-2-amine?

The canonical SMILES for 4-(aminomethyl)-3-methylbenzaldehyde;2-chloro-5-methylaniline;1-chloro-3-methylbenzene;1-chloro-4-methylbenzene;3-chloro-6-methylpyridin-2-amine;(2-fluoro-6-methylphenyl)methanamine;(3-fluoro-2-methylphenyl)methanamine;(4-fluoro-2-methylphenyl)methanamine;(5-fluoro-2-methylphenyl)methanamine;1-methoxy-4-methylbenzene;(5-methoxy-2-methylphenyl)methanamine;3-methylbenzamide;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine;(4-methylphenyl)methanamine;4-methylpyridin-2-amine;6-methylpyridin-2-amine is COc1ccc(C)c(CN)c1.COc1ccc(C)cc1.Cc1c(F)cccc1CN.Cc1cc(C=O)ccc1CN.Cc1cc(F)ccc1CN.Cc1ccc(CN)cc1.Cc1ccc(Cl)c(N)c1.Cc1ccc(Cl)c(N)n1.Cc1ccc(Cl)cc1.Cc1ccc(F)cc1CN.Cc1cccc(C(N)=O)c1.Cc1cccc(CN)c1.Cc1cccc(Cl)c1.Cc1cccc(F)c1CN.Cc1cccc(N)n1.Cc1ccccc1CN.Cc1ccnc(N)c1.

What is the InChIKey of 4-(aminomethyl)-3-methylbenzaldehyde;2-chloro-5-methylaniline;1-chloro-3-methylbenzene;1-chloro-4-methylbenzene;3-chloro-6-methylpyridin-2-amine;(2-fluoro-6-methylphenyl)methanamine;(3-fluoro-2-methylphenyl)methanamine;(4-fluoro-2-methylphenyl)methanamine;(5-fluoro-2-methylphenyl)methanamine;1-methoxy-4-methylbenzene;(5-methoxy-2-methylphenyl)methanamine;3-methylbenzamide;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine;(4-methylphenyl)methanamine;4-methylpyridin-2-amine;6-methylpyridin-2-amine?

The InChIKey is HOMBEGNUHCIEDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO.C9H11NO.4C8H10FN.C8H9NO.3C8H11N.C8H10O.C7H8ClN.2C7H7Cl.C6H7ClN2.2C6H8N2/c1-7-3-4-9(11-2)5-8(7)6-10;1-7-4-8(6-11)2-3-9(7)5-10;1-6-4-8(9)3-2-7(6)5-10;1-6-2-3-8(9)4-7(6)5-10;1-6-7(5-10)3-2-4-8(6)9;1-6-3-2-4-8(9)7(6)5-10;1-6-3-2-4-7(5-6)8(9)10;1-7-2-4-8(6-9)5-3-7;1-7-3-2-4-8(5-7)6-9;1-7-4-2-3-5-8(7)6-9;1-7-3-5-8(9-2)6-4-7;1-5-2-3-6(8)7(9)4-5;1-6-2-4-7(8)5-3-6;1-6-3-2-4-7(8)5-6;1-4-2-3-5(7)6(8)9-4;1-5-2-3-8-6(7)4-5;1-5-3-2-4-6(7)8-5/h3-5H,6,10H2,1-2H3;2-4,6H,5,10H2,1H3;4*2-4H,5,10H2,1H3;2-5H,1H3,(H2,9,10);3*2-5H,6,9H2,1H3;3-6H,1-2H3;2-4H,9H2,1H3;2*2-5H,1H3;2-3H,1H3,(H2,8,9);2*2-4H,1H3,(H2,7,8).

What are the key properties of 4-(aminomethyl)-3-methylbenzaldehyde;2-chloro-5-methylaniline;1-chloro-3-methylbenzene;1-chloro-4-methylbenzene;3-chloro-6-methylpyridin-2-amine;(2-fluoro-6-methylphenyl)methanamine;(3-fluoro-2-methylphenyl)methanamine;(4-fluoro-2-methylphenyl)methanamine;(5-fluoro-2-methylphenyl)methanamine;1-methoxy-4-methylbenzene;(5-methoxy-2-methylphenyl)methanamine;3-methylbenzamide;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine;(4-methylphenyl)methanamine;4-methylpyridin-2-amine;6-methylpyridin-2-amine?

4-(aminomethyl)-3-methylbenzaldehyde;2-chloro-5-methylaniline;1-chloro-3-methylbenzene;1-chloro-4-methylbenzene;3-chloro-6-methylpyridin-2-amine;(2-fluoro-6-methylphenyl)methanamine;(3-fluoro-2-methylphenyl)methanamine;(4-fluoro-2-methylphenyl)methanamine;(5-fluoro-2-methylphenyl)methanamine;1-methoxy-4-methylbenzene;(5-methoxy-2-methylphenyl)methanamine;3-methylbenzamide;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine;(4-methylphenyl)methanamine;4-methylpyridin-2-amine;6-methylpyridin-2-amine has a molecular weight of 2231.63 g/mol, XLogP of 27.66, 13 rotatable bonds, 14 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(aminomethyl)-3-methylbenzaldehyde;2-chloro-5-methylaniline;1-chloro-3-methylbenzene;1-chloro-4-methylbenzene;3-chloro-6-methylpyridin-2-amine;(2-fluoro-6-methylphenyl)methanamine;(3-fluoro-2-methylphenyl)methanamine;(4-fluoro-2-methylphenyl)methanamine;(5-fluoro-2-methylphenyl)methanamine;1-methoxy-4-methylbenzene;(5-methoxy-2-methylphenyl)methanamine;3-methylbenzamide;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine;(4-methylphenyl)methanamine;4-methylpyridin-2-amine;6-methylpyridin-2-amine is sourced from PubChem (CID 158540684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).