[4-(aminomethyl)-3-methylphenyl]methanamine;2-chloro-4-methylaniline;2-chloro-5-methylaniline;(2-fluoro-6-methylphenyl)methanamine;(3-fluoro-2-methylphenyl)methanamine;(4-fluoro-2-methylphenyl)methanamine;(5-fluoro-2-methylphenyl)methanamine;1-methoxy-3-methylbenzene;1-methoxy-4-methylbenzene;(2-methoxy-6-methylphenyl)methanamine;(4-methoxy-2-methylphenyl)methanamine;(5-methoxy-2-methylphenyl)methanamine;3-methylbenzamide;5-(4-methylphenyl)-2,3-dihydro-1,3,4-thiadiazol-2-amine;3-(4-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine;(4-methylphenyl)methanamine;7-methylphthalazin-1-amine;6-methylphthalazine-1,4-diamine

C166H210Cl2F4N28O7S — CID 161077749

About [4-(aminomethyl)-3-methylphenyl]methanamine;2-chloro-4-methylaniline;2-chloro-5-methylaniline;(2-fluoro-6-methylphenyl)methanamine;(3-fluoro-2-methylphenyl)methanamine;(4-fluoro-2-methylphenyl)methanamine;(5-fluoro-2-methylphenyl)methanamine;1-methoxy-3-methylbenzene;1-methoxy-4-methylbenzene;(2-methoxy-6-methylphenyl)methanamine;(4-methoxy-2-methylphenyl)methanamine;(5-methoxy-2-methylphenyl)methanamine;3-methylbenzamide;5-(4-methylphenyl)-2,3-dihydro-1,3,4-thiadiazol-2-amine;3-(4-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine;(4-methylphenyl)methanamine;7-methylphthalazin-1-amine;6-methylphthalazine-1,4-diamine

[4-(aminomethyl)-3-methylphenyl]methanamine;2-chloro-4-methylaniline;2-chloro-5-methylaniline;(2-fluoro-6-methylphenyl)methanamine;(3-fluoro-2-methylphenyl)methanamine;(4-fluoro-2-methylphenyl)methanamine;(5-fluoro-2-methylphenyl)methanamine;1-methoxy-3-methylbenzene;1-methoxy-4-methylbenzene;(2-methoxy-6-methylphenyl)methanamine;(4-methoxy-2-methylphenyl)methanamine;(5-methoxy-2-methylphenyl)methanamine;3-methylbenzamide;5-(4-methylphenyl)-2,3-dihydro-1,3,4-thiadiazol-2-amine;3-(4-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine;(4-methylphenyl)methanamine;7-methylphthalazin-1-amine;6-methylphthalazine-1,4-diamine (PubChem CID 161077749) has the molecular formula C166H210Cl2F4N28O7S and a molecular weight of 2888.66 g/mol. Its IUPAC name is [4-(aminomethyl)-3-methylphenyl]methanamine;2-chloro-4-methylaniline;2-chloro-5-methylaniline;(2-fluoro-6-methylphenyl)methanamine;(3-fluoro-2-methylphenyl)methanamine;(4-fluoro-2-methylphenyl)methanamine;(5-fluoro-2-methylphenyl)methanamine;1-methoxy-3-methylbenzene;1-methoxy-4-methylbenzene;(2-methoxy-6-methylphenyl)methanamine;(4-methoxy-2-methylphenyl)methanamine;(5-methoxy-2-methylphenyl)methanamine;3-methylbenzamide;5-(4-methylphenyl)-2,3-dihydro-1,3,4-thiadiazol-2-amine;3-(4-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine;(4-methylphenyl)methanamine;7-methylphthalazin-1-amine;6-methylphthalazine-1,4-diamine.

Molecular Properties

• Compound Name: [4-(aminomethyl)-3-methylphenyl]methanamine;2-chloro-4-methylaniline;2-chloro-5-methylaniline;(2-fluoro-6-methylphenyl)methanamine;(3-fluoro-2-methylphenyl)methanamine;(4-fluoro-2-methylphenyl)methanamine;(5-fluoro-2-methylphenyl)methanamine;1-methoxy-3-methylbenzene;1-methoxy-4-methylbenzene;(2-methoxy-6-methylphenyl)methanamine;(4-methoxy-2-methylphenyl)methanamine;(5-methoxy-2-methylphenyl)methanamine;3-methylbenzamide;5-(4-methylphenyl)-2,3-dihydro-1,3,4-thiadiazol-2-amine;3-(4-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine;(4-methylphenyl)methanamine;7-methylphthalazin-1-amine;6-methylphthalazine-1,4-diamine
• PubChem CID: 161077749
• Molecular Formula: C166H210Cl2F4N28O7S
• Molecular Weight: 2888.66 g/mol
• Exact Mass: 2885.60
• IUPAC Name: [4-(aminomethyl)-3-methylphenyl]methanamine;2-chloro-4-methylaniline;2-chloro-5-methylaniline;(2-fluoro-6-methylphenyl)methanamine;(3-fluoro-2-methylphenyl)methanamine;(4-fluoro-2-methylphenyl)methanamine;(5-fluoro-2-methylphenyl)methanamine;1-methoxy-3-methylbenzene;1-methoxy-4-methylbenzene;(2-methoxy-6-methylphenyl)methanamine;(4-methoxy-2-methylphenyl)methanamine;(5-methoxy-2-methylphenyl)methanamine;3-methylbenzamide;5-(4-methylphenyl)-2,3-dihydro-1,3,4-thiadiazol-2-amine;3-(4-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine;(4-methylphenyl)methanamine;7-methylphthalazin-1-amine;6-methylphthalazine-1,4-diamine
• SMILES: COc1ccc(C)c(CN)c1.COc1ccc(C)cc1.COc1ccc(CN)c(C)c1.COc1cccc(C)c1.COc1cccc(C)c1CN.Cc1c(F)cccc1CN.Cc1cc(CN)ccc1CN.Cc1cc(F)ccc1CN.Cc1ccc(-c2n[nH]c(=O)[nH]2)cc1.Cc1ccc(C2=NNC(N)S2)cc1.Cc1ccc(CN)cc1.Cc1ccc(Cl)c(N)c1.Cc1ccc(F)cc1CN.Cc1ccc(N)c(Cl)c1.Cc1ccc2c(N)nnc(N)c2c1.Cc1ccc2cnnc(N)c2c1.Cc1cccc(C(N)=O)c1.Cc1cccc(CN)c1.Cc1cccc(F)c1CN.Cc1ccccc1CN
• InChI: InChI=1S/C9H10N4.C9H9N3O.C9H11N3S.C9H9N3.C9H14N2.3C9H13NO.4C8H10FN.C8H9NO.3C8H11N.2C8H10O.2C7H8ClN/c1-5-2-3-6-7(4-5)9(11)13-12-8(6)10;1-6-2-4-7(5-3-6)8-10-9(13)12-11-8;1-6-2-4-7(5-3-6)8-11-12-9(10)13-8;1-6-2-3-7-5-11-12-9(10)8(7)4-6;1-7-4-8(5-10)2-3-9(7)6-11;1-7-5-9(11-2)4-3-8(7)6-10;1-7-3-4-9(11-2)5-8(7)6-10;1-7-4-3-5-9(11-2)8(7)6-10;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;1-7-4-3-5-8(6-7)9-2;1-5-2-3-7(9)6(8)4-5;1-5-2-3-6(8)7(9)4-5/h2-4H,1H3,(H2,10,12)(H2,11,13);2-5H,1H3,(H2,10,11,12,13);2-5,9,12H,10H2,1H3;2-5H,1H3,(H2,10,12);2-4H,5-6,10-11H2,1H3;3*3-5H,6,10H2,1-2H3;4*2-4H,5,10H2,1H3;2-5H,1H3,(H2,9,10);3*2-5H,6,9H2,1H3;2*3-6H,1-2H3;2*2-4H,9H2,1H3
• InChIKey: UFMUZCWKGWQDID-UHFFFAOYSA-N
• XLogP: 30.53
• TPSA: 695.09 Ų
• H-Bond Donors: 22
• H-Bond Acceptors: 33
• Rotatable Bonds: 20
• Heavy Atoms: 208
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2888.66
LogP ≤ 5	30.53
H-Bond Donors ≤ 5	22
H-Bond Acceptors ≤ 10	33

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;2-chloro-4-methylaniline;2-chloro-5-methylaniline;(2-fluoro-6-methylphenyl)methanamine;(3-fluoro-2-methylphenyl)methanamine;(4-fluoro-2-methylphenyl)methanamine;(5-fluoro-2-methylphenyl)methanamine;1-methoxy-3-methylbenzene;1-methoxy-4-methylbenzene;(2-methoxy-6-methylphenyl)methanamine;(4-methoxy-2-methylphenyl)methanamine;(5-methoxy-2-methylphenyl)methanamine;3-methylbenzamide;5-(4-methylphenyl)-2,3-dihydro-1,3,4-thiadiazol-2-amine;3-(4-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine;(4-methylphenyl)methanamine;7-methylphthalazin-1-amine;6-methylphthalazine-1,4-diamine?

The IUPAC name of [4-(aminomethyl)-3-methylphenyl]methanamine;2-chloro-4-methylaniline;2-chloro-5-methylaniline;(2-fluoro-6-methylphenyl)methanamine;(3-fluoro-2-methylphenyl)methanamine;(4-fluoro-2-methylphenyl)methanamine;(5-fluoro-2-methylphenyl)methanamine;1-methoxy-3-methylbenzene;1-methoxy-4-methylbenzene;(2-methoxy-6-methylphenyl)methanamine;(4-methoxy-2-methylphenyl)methanamine;(5-methoxy-2-methylphenyl)methanamine;3-methylbenzamide;5-(4-methylphenyl)-2,3-dihydro-1,3,4-thiadiazol-2-amine;3-(4-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine;(4-methylphenyl)methanamine;7-methylphthalazin-1-amine;6-methylphthalazine-1,4-diamine (CID 161077749) is [4-(aminomethyl)-3-methylphenyl]methanamine;2-chloro-4-methylaniline;2-chloro-5-methylaniline;(2-fluoro-6-methylphenyl)methanamine;(3-fluoro-2-methylphenyl)methanamine;(4-fluoro-2-methylphenyl)methanamine;(5-fluoro-2-methylphenyl)methanamine;1-methoxy-3-methylbenzene;1-methoxy-4-methylbenzene;(2-methoxy-6-methylphenyl)methanamine;(4-methoxy-2-methylphenyl)methanamine;(5-methoxy-2-methylphenyl)methanamine;3-methylbenzamide;5-(4-methylphenyl)-2,3-dihydro-1,3,4-thiadiazol-2-amine;3-(4-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine;(4-methylphenyl)methanamine;7-methylphthalazin-1-amine;6-methylphthalazine-1,4-diamine.

What is the SMILES notation for [4-(aminomethyl)-3-methylphenyl]methanamine;2-chloro-4-methylaniline;2-chloro-5-methylaniline;(2-fluoro-6-methylphenyl)methanamine;(3-fluoro-2-methylphenyl)methanamine;(4-fluoro-2-methylphenyl)methanamine;(5-fluoro-2-methylphenyl)methanamine;1-methoxy-3-methylbenzene;1-methoxy-4-methylbenzene;(2-methoxy-6-methylphenyl)methanamine;(4-methoxy-2-methylphenyl)methanamine;(5-methoxy-2-methylphenyl)methanamine;3-methylbenzamide;5-(4-methylphenyl)-2,3-dihydro-1,3,4-thiadiazol-2-amine;3-(4-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine;(4-methylphenyl)methanamine;7-methylphthalazin-1-amine;6-methylphthalazine-1,4-diamine?

The canonical SMILES for [4-(aminomethyl)-3-methylphenyl]methanamine;2-chloro-4-methylaniline;2-chloro-5-methylaniline;(2-fluoro-6-methylphenyl)methanamine;(3-fluoro-2-methylphenyl)methanamine;(4-fluoro-2-methylphenyl)methanamine;(5-fluoro-2-methylphenyl)methanamine;1-methoxy-3-methylbenzene;1-methoxy-4-methylbenzene;(2-methoxy-6-methylphenyl)methanamine;(4-methoxy-2-methylphenyl)methanamine;(5-methoxy-2-methylphenyl)methanamine;3-methylbenzamide;5-(4-methylphenyl)-2,3-dihydro-1,3,4-thiadiazol-2-amine;3-(4-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine;(4-methylphenyl)methanamine;7-methylphthalazin-1-amine;6-methylphthalazine-1,4-diamine is COc1ccc(C)c(CN)c1.COc1ccc(C)cc1.COc1ccc(CN)c(C)c1.COc1cccc(C)c1.COc1cccc(C)c1CN.Cc1c(F)cccc1CN.Cc1cc(CN)ccc1CN.Cc1cc(F)ccc1CN.Cc1ccc(-c2n[nH]c(=O)[nH]2)cc1.Cc1ccc(C2=NNC(N)S2)cc1.Cc1ccc(CN)cc1.Cc1ccc(Cl)c(N)c1.Cc1ccc(F)cc1CN.Cc1ccc(N)c(Cl)c1.Cc1ccc2c(N)nnc(N)c2c1.Cc1ccc2cnnc(N)c2c1.Cc1cccc(C(N)=O)c1.Cc1cccc(CN)c1.Cc1cccc(F)c1CN.Cc1ccccc1CN.

What is the InChIKey of [4-(aminomethyl)-3-methylphenyl]methanamine;2-chloro-4-methylaniline;2-chloro-5-methylaniline;(2-fluoro-6-methylphenyl)methanamine;(3-fluoro-2-methylphenyl)methanamine;(4-fluoro-2-methylphenyl)methanamine;(5-fluoro-2-methylphenyl)methanamine;1-methoxy-3-methylbenzene;1-methoxy-4-methylbenzene;(2-methoxy-6-methylphenyl)methanamine;(4-methoxy-2-methylphenyl)methanamine;(5-methoxy-2-methylphenyl)methanamine;3-methylbenzamide;5-(4-methylphenyl)-2,3-dihydro-1,3,4-thiadiazol-2-amine;3-(4-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine;(4-methylphenyl)methanamine;7-methylphthalazin-1-amine;6-methylphthalazine-1,4-diamine?

The InChIKey is UFMUZCWKGWQDID-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4.C9H9N3O.C9H11N3S.C9H9N3.C9H14N2.3C9H13NO.4C8H10FN.C8H9NO.3C8H11N.2C8H10O.2C7H8ClN/c1-5-2-3-6-7(4-5)9(11)13-12-8(6)10;1-6-2-4-7(5-3-6)8-10-9(13)12-11-8;1-6-2-4-7(5-3-6)8-11-12-9(10)13-8;1-6-2-3-7-5-11-12-9(10)8(7)4-6;1-7-4-8(5-10)2-3-9(7)6-11;1-7-5-9(11-2)4-3-8(7)6-10;1-7-3-4-9(11-2)5-8(7)6-10;1-7-4-3-5-9(11-2)8(7)6-10;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;1-7-4-3-5-8(6-7)9-2;1-5-2-3-7(9)6(8)4-5;1-5-2-3-6(8)7(9)4-5/h2-4H,1H3,(H2,10,12)(H2,11,13);2-5H,1H3,(H2,10,11,12,13);2-5,9,12H,10H2,1H3;2-5H,1H3,(H2,10,12);2-4H,5-6,10-11H2,1H3;3*3-5H,6,10H2,1-2H3;4*2-4H,5,10H2,1H3;2-5H,1H3,(H2,9,10);3*2-5H,6,9H2,1H3;2*3-6H,1-2H3;2*2-4H,9H2,1H3.

What are the key properties of [4-(aminomethyl)-3-methylphenyl]methanamine;2-chloro-4-methylaniline;2-chloro-5-methylaniline;(2-fluoro-6-methylphenyl)methanamine;(3-fluoro-2-methylphenyl)methanamine;(4-fluoro-2-methylphenyl)methanamine;(5-fluoro-2-methylphenyl)methanamine;1-methoxy-3-methylbenzene;1-methoxy-4-methylbenzene;(2-methoxy-6-methylphenyl)methanamine;(4-methoxy-2-methylphenyl)methanamine;(5-methoxy-2-methylphenyl)methanamine;3-methylbenzamide;5-(4-methylphenyl)-2,3-dihydro-1,3,4-thiadiazol-2-amine;3-(4-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine;(4-methylphenyl)methanamine;7-methylphthalazin-1-amine;6-methylphthalazine-1,4-diamine?

[4-(aminomethyl)-3-methylphenyl]methanamine;2-chloro-4-methylaniline;2-chloro-5-methylaniline;(2-fluoro-6-methylphenyl)methanamine;(3-fluoro-2-methylphenyl)methanamine;(4-fluoro-2-methylphenyl)methanamine;(5-fluoro-2-methylphenyl)methanamine;1-methoxy-3-methylbenzene;1-methoxy-4-methylbenzene;(2-methoxy-6-methylphenyl)methanamine;(4-methoxy-2-methylphenyl)methanamine;(5-methoxy-2-methylphenyl)methanamine;3-methylbenzamide;5-(4-methylphenyl)-2,3-dihydro-1,3,4-thiadiazol-2-amine;3-(4-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine;(4-methylphenyl)methanamine;7-methylphthalazin-1-amine;6-methylphthalazine-1,4-diamine has a molecular weight of 2888.66 g/mol, XLogP of 30.53, 20 rotatable bonds, 22 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for [4-(aminomethyl)-3-methylphenyl]methanamine;2-chloro-4-methylaniline;2-chloro-5-methylaniline;(2-fluoro-6-methylphenyl)methanamine;(3-fluoro-2-methylphenyl)methanamine;(4-fluoro-2-methylphenyl)methanamine;(5-fluoro-2-methylphenyl)methanamine;1-methoxy-3-methylbenzene;1-methoxy-4-methylbenzene;(2-methoxy-6-methylphenyl)methanamine;(4-methoxy-2-methylphenyl)methanamine;(5-methoxy-2-methylphenyl)methanamine;3-methylbenzamide;5-(4-methylphenyl)-2,3-dihydro-1,3,4-thiadiazol-2-amine;3-(4-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine;(4-methylphenyl)methanamine;7-methylphthalazin-1-amine;6-methylphthalazine-1,4-diamine is sourced from PubChem (CID 161077749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).