[4-(aminomethyl)-3-methylphenyl]methanamine;1-chloro-2-fluoro-4-methylbenzene;2-chloro-5-methylaniline;4-chloro-2-methylbenzamide;1-chloro-3-methylbenzene;1-chloro-4-methylbenzene;(2-fluoro-6-methylphenyl)methanamine;(3-fluoro-2-methylphenyl)methanamine;(4-fluoro-2-methylphenyl)methanamine;(5-fluoro-2-methylphenyl)methanamine;1-methoxy-4-methylbenzene;(4-methoxy-2-methylphenyl)methanamine;(2-methylphenyl)methanamine

C102H124Cl5F5N10O3 — CID 157126725

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

[4-(aminomethyl)-3-methylphenyl]methanamine;1-chloro-2-fluoro-4-methylbenzene;2-chloro-5-methylaniline;4-chloro-2-methylbenzamide;1-chloro-3-methylbenzene;1-chloro-4-methylbenzene;(2-fluoro-6-methylphenyl)methanamine;(3-fluoro-2-methylphenyl)methanamine;(4-fluoro-2-methylphenyl)methanamine;(5-fluoro-2-methylphenyl)methanamine;1-methoxy-4-methylbenzene;(4-methoxy-2-methylphenyl)methanamine;(2-methylphenyl)methanamine (PubChem CID 157126725) has the molecular formula C102H124Cl5F5N10O3 and a molecular weight of 1810.44 g/mol. Its IUPAC name is [4-(aminomethyl)-3-methylphenyl]methanamine;1-chloro-2-fluoro-4-methylbenzene;2-chloro-5-methylaniline;4-chloro-2-methylbenzamide;1-chloro-3-methylbenzene;1-chloro-4-methylbenzene;(2-fluoro-6-methylphenyl)methanamine;(3-fluoro-2-methylphenyl)methanamine;(4-fluoro-2-methylphenyl)methanamine;(5-fluoro-2-methylphenyl)methanamine;1-methoxy-4-methylbenzene;(4-methoxy-2-methylphenyl)methanamine;(2-methylphenyl)methanamine.

Molecular Properties

• Compound Name: [4-(aminomethyl)-3-methylphenyl]methanamine;1-chloro-2-fluoro-4-methylbenzene;2-chloro-5-methylaniline;4-chloro-2-methylbenzamide;1-chloro-3-methylbenzene;1-chloro-4-methylbenzene;(2-fluoro-6-methylphenyl)methanamine;(3-fluoro-2-methylphenyl)methanamine;(4-fluoro-2-methylphenyl)methanamine;(5-fluoro-2-methylphenyl)methanamine;1-methoxy-4-methylbenzene;(4-methoxy-2-methylphenyl)methanamine;(2-methylphenyl)methanamine
• PubChem CID: 157126725
• Molecular Formula: C102H124Cl5F5N10O3
• Molecular Weight: 1810.44 g/mol
• Exact Mass: 1806.82
• IUPAC Name: [4-(aminomethyl)-3-methylphenyl]methanamine;1-chloro-2-fluoro-4-methylbenzene;2-chloro-5-methylaniline;4-chloro-2-methylbenzamide;1-chloro-3-methylbenzene;1-chloro-4-methylbenzene;(2-fluoro-6-methylphenyl)methanamine;(3-fluoro-2-methylphenyl)methanamine;(4-fluoro-2-methylphenyl)methanamine;(5-fluoro-2-methylphenyl)methanamine;1-methoxy-4-methylbenzene;(4-methoxy-2-methylphenyl)methanamine;(2-methylphenyl)methanamine
• SMILES: COc1ccc(C)cc1.COc1ccc(CN)c(C)c1.Cc1c(F)cccc1CN.Cc1cc(CN)ccc1CN.Cc1cc(Cl)ccc1C(N)=O.Cc1cc(F)ccc1CN.Cc1ccc(Cl)c(F)c1.Cc1ccc(Cl)c(N)c1.Cc1ccc(Cl)cc1.Cc1ccc(F)cc1CN.Cc1cccc(Cl)c1.Cc1cccc(F)c1CN.Cc1ccccc1CN
• InChI: InChI=1S/C9H14N2.C9H13NO.C8H8ClNO.4C8H10FN.C8H11N.C8H10O.C7H6ClF.C7H8ClN.2C7H7Cl/c1-7-4-8(5-10)2-3-9(7)6-11;1-7-5-9(11-2)4-3-8(7)6-10;1-5-4-6(9)2-3-7(5)8(10)11;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;1-7-4-2-3-5-8(7)6-9;1-7-3-5-8(9-2)6-4-7;2*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/h2-4H,5-6,10-11H2,1H3;3-5H,6,10H2,1-2H3;2-4H,1H3,(H2,10,11);4*2-4H,5,10H2,1H3;2-5H,6,9H2,1H3;3-6H,1-2H3;2-4H,1H3;2-4H,9H2,1H3;2*2-5H,1H3
• InChIKey: AIOYLONWHDUTKC-UHFFFAOYSA-N
• XLogP: 24.27
• TPSA: 295.73 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 12
• Rotatable Bonds: 11
• Heavy Atoms: 125
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1810.44
LogP ≤ 5	24.27
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of [4-(aminomethyl)-3-methylphenyl]methanamine;1-chloro-2-fluoro-4-methylbenzene;2-chloro-5-methylaniline;4-chloro-2-methylbenzamide;1-chloro-3-methylbenzene;1-chloro-4-methylbenzene;(2-fluoro-6-methylphenyl)methanamine;(3-fluoro-2-methylphenyl)methanamine;(4-fluoro-2-methylphenyl)methanamine;(5-fluoro-2-methylphenyl)methanamine;1-methoxy-4-methylbenzene;(4-methoxy-2-methylphenyl)methanamine;(2-methylphenyl)methanamine (CID 157126725) is [4-(aminomethyl)-3-methylphenyl]methanamine;1-chloro-2-fluoro-4-methylbenzene;2-chloro-5-methylaniline;4-chloro-2-methylbenzamide;1-chloro-3-methylbenzene;1-chloro-4-methylbenzene;(2-fluoro-6-methylphenyl)methanamine;(3-fluoro-2-methylphenyl)methanamine;(4-fluoro-2-methylphenyl)methanamine;(5-fluoro-2-methylphenyl)methanamine;1-methoxy-4-methylbenzene;(4-methoxy-2-methylphenyl)methanamine;(2-methylphenyl)methanamine.

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

The canonical SMILES for [4-(aminomethyl)-3-methylphenyl]methanamine;1-chloro-2-fluoro-4-methylbenzene;2-chloro-5-methylaniline;4-chloro-2-methylbenzamide;1-chloro-3-methylbenzene;1-chloro-4-methylbenzene;(2-fluoro-6-methylphenyl)methanamine;(3-fluoro-2-methylphenyl)methanamine;(4-fluoro-2-methylphenyl)methanamine;(5-fluoro-2-methylphenyl)methanamine;1-methoxy-4-methylbenzene;(4-methoxy-2-methylphenyl)methanamine;(2-methylphenyl)methanamine is COc1ccc(C)cc1.COc1ccc(CN)c(C)c1.Cc1c(F)cccc1CN.Cc1cc(CN)ccc1CN.Cc1cc(Cl)ccc1C(N)=O.Cc1cc(F)ccc1CN.Cc1ccc(Cl)c(F)c1.Cc1ccc(Cl)c(N)c1.Cc1ccc(Cl)cc1.Cc1ccc(F)cc1CN.Cc1cccc(Cl)c1.Cc1cccc(F)c1CN.Cc1ccccc1CN.

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

The InChIKey is AIOYLONWHDUTKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2.C9H13NO.C8H8ClNO.4C8H10FN.C8H11N.C8H10O.C7H6ClF.C7H8ClN.2C7H7Cl/c1-7-4-8(5-10)2-3-9(7)6-11;1-7-5-9(11-2)4-3-8(7)6-10;1-5-4-6(9)2-3-7(5)8(10)11;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;1-7-4-2-3-5-8(7)6-9;1-7-3-5-8(9-2)6-4-7;2*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/h2-4H,5-6,10-11H2,1H3;3-5H,6,10H2,1-2H3;2-4H,1H3,(H2,10,11);4*2-4H,5,10H2,1H3;2-5H,6,9H2,1H3;3-6H,1-2H3;2-4H,1H3;2-4H,9H2,1H3;2*2-5H,1H3.

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

[4-(aminomethyl)-3-methylphenyl]methanamine;1-chloro-2-fluoro-4-methylbenzene;2-chloro-5-methylaniline;4-chloro-2-methylbenzamide;1-chloro-3-methylbenzene;1-chloro-4-methylbenzene;(2-fluoro-6-methylphenyl)methanamine;(3-fluoro-2-methylphenyl)methanamine;(4-fluoro-2-methylphenyl)methanamine;(5-fluoro-2-methylphenyl)methanamine;1-methoxy-4-methylbenzene;(4-methoxy-2-methylphenyl)methanamine;(2-methylphenyl)methanamine has a molecular weight of 1810.44 g/mol, XLogP of 24.27, 11 rotatable bonds, 10 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for [4-(aminomethyl)-3-methylphenyl]methanamine;1-chloro-2-fluoro-4-methylbenzene;2-chloro-5-methylaniline;4-chloro-2-methylbenzamide;1-chloro-3-methylbenzene;1-chloro-4-methylbenzene;(2-fluoro-6-methylphenyl)methanamine;(3-fluoro-2-methylphenyl)methanamine;(4-fluoro-2-methylphenyl)methanamine;(5-fluoro-2-methylphenyl)methanamine;1-methoxy-4-methylbenzene;(4-methoxy-2-methylphenyl)methanamine;(2-methylphenyl)methanamine is sourced from PubChem (CID 157126725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).