N,2-di(propan-2-yl)aniline;4-(4-ethylpiperazin-1-yl)-N-propan-2-yl-3-(trifluoromethyl)aniline;4-methyl-N-propan-2-ylaniline;2-methyl-3-N-propan-2-ylbenzene-1,3-diamine;2-methyl-N-propan-2-ylpyridin-3-amine;2-(2-methylpropyl)-1,3-thiazole;2-phenyl-N-propan-2-ylaniline;N-propan-2-ylpyridin-2-amine;N-propan-2-ylpyridin-3-amine;N-propan-2-ylpyridin-4-amine;N-propan-2-ylpyrimidin-2-amine;N-propan-2-ylpyrimidin-4-amine;N-propan-2-yl-2-(trifluoromethyl)aniline

C127H186F6N24S — CID 159722367

About N,2-di(propan-2-yl)aniline;4-(4-ethylpiperazin-1-yl)-N-propan-2-yl-3-(trifluoromethyl)aniline;4-methyl-N-propan-2-ylaniline;2-methyl-3-N-propan-2-ylbenzene-1,3-diamine;2-methyl-N-propan-2-ylpyridin-3-amine;2-(2-methylpropyl)-1,3-thiazole;2-phenyl-N-propan-2-ylaniline;N-propan-2-ylpyridin-2-amine;N-propan-2-ylpyridin-3-amine;N-propan-2-ylpyridin-4-amine;N-propan-2-ylpyrimidin-2-amine;N-propan-2-ylpyrimidin-4-amine;N-propan-2-yl-2-(trifluoromethyl)aniline

N,2-di(propan-2-yl)aniline;4-(4-ethylpiperazin-1-yl)-N-propan-2-yl-3-(trifluoromethyl)aniline;4-methyl-N-propan-2-ylaniline;2-methyl-3-N-propan-2-ylbenzene-1,3-diamine;2-methyl-N-propan-2-ylpyridin-3-amine;2-(2-methylpropyl)-1,3-thiazole;2-phenyl-N-propan-2-ylaniline;N-propan-2-ylpyridin-2-amine;N-propan-2-ylpyridin-3-amine;N-propan-2-ylpyridin-4-amine;N-propan-2-ylpyrimidin-2-amine;N-propan-2-ylpyrimidin-4-amine;N-propan-2-yl-2-(trifluoromethyl)aniline (PubChem CID 159722367) has the molecular formula C127H186F6N24S and a molecular weight of 2195.11 g/mol. Its IUPAC name is N,2-di(propan-2-yl)aniline;4-(4-ethylpiperazin-1-yl)-N-propan-2-yl-3-(trifluoromethyl)aniline;4-methyl-N-propan-2-ylaniline;2-methyl-3-N-propan-2-ylbenzene-1,3-diamine;2-methyl-N-propan-2-ylpyridin-3-amine;2-(2-methylpropyl)-1,3-thiazole;2-phenyl-N-propan-2-ylaniline;N-propan-2-ylpyridin-2-amine;N-propan-2-ylpyridin-3-amine;N-propan-2-ylpyridin-4-amine;N-propan-2-ylpyrimidin-2-amine;N-propan-2-ylpyrimidin-4-amine;N-propan-2-yl-2-(trifluoromethyl)aniline.

Molecular Properties

• Compound Name: N,2-di(propan-2-yl)aniline;4-(4-ethylpiperazin-1-yl)-N-propan-2-yl-3-(trifluoromethyl)aniline;4-methyl-N-propan-2-ylaniline;2-methyl-3-N-propan-2-ylbenzene-1,3-diamine;2-methyl-N-propan-2-ylpyridin-3-amine;2-(2-methylpropyl)-1,3-thiazole;2-phenyl-N-propan-2-ylaniline;N-propan-2-ylpyridin-2-amine;N-propan-2-ylpyridin-3-amine;N-propan-2-ylpyridin-4-amine;N-propan-2-ylpyrimidin-2-amine;N-propan-2-ylpyrimidin-4-amine;N-propan-2-yl-2-(trifluoromethyl)aniline
• PubChem CID: 159722367
• Molecular Formula: C127H186F6N24S
• Molecular Weight: 2195.11 g/mol
• Exact Mass: 2193.49
• IUPAC Name: N,2-di(propan-2-yl)aniline;4-(4-ethylpiperazin-1-yl)-N-propan-2-yl-3-(trifluoromethyl)aniline;4-methyl-N-propan-2-ylaniline;2-methyl-3-N-propan-2-ylbenzene-1,3-diamine;2-methyl-N-propan-2-ylpyridin-3-amine;2-(2-methylpropyl)-1,3-thiazole;2-phenyl-N-propan-2-ylaniline;N-propan-2-ylpyridin-2-amine;N-propan-2-ylpyridin-3-amine;N-propan-2-ylpyridin-4-amine;N-propan-2-ylpyrimidin-2-amine;N-propan-2-ylpyrimidin-4-amine;N-propan-2-yl-2-(trifluoromethyl)aniline
• SMILES: CC(C)Cc1nccs1.CC(C)Nc1ccccc1-c1ccccc1.CC(C)Nc1ccccc1C(C)C.CC(C)Nc1ccccc1C(F)(F)F.CC(C)Nc1ccccn1.CC(C)Nc1cccnc1.CC(C)Nc1ccncc1.CC(C)Nc1ccncn1.CC(C)Nc1ncccn1.CCN1CCN(c2ccc(NC(C)C)cc2C(F)(F)F)CC1.Cc1c(N)cccc1NC(C)C.Cc1ccc(NC(C)C)cc1.Cc1ncccc1NC(C)C
• InChI: InChI=1S/C16H24F3N3.C15H17N.C12H19N.C10H12F3N.C10H16N2.C10H15N.C9H14N2.3C8H12N2.2C7H11N3.C7H11NS/c1-4-21-7-9-22(10-8-21)15-6-5-13(20-12(2)3)11-14(15)16(17,18)19;1-12(2)16-15-11-7-6-10-14(15)13-8-4-3-5-9-13;1-9(2)11-7-5-6-8-12(11)13-10(3)4;1-7(2)14-9-6-4-3-5-8(9)10(11,12)13;1-7(2)12-10-6-4-5-9(11)8(10)3;1-8(2)11-10-6-4-9(3)5-7-10;1-7(2)11-9-5-4-6-10-8(9)3;1-7(2)10-8-3-5-9-6-4-8;1-7(2)10-8-4-3-5-9-6-8;1-7(2)10-8-5-3-4-6-9-8;1-6(2)10-7-3-4-8-5-9-7;1-6(2)10-7-8-4-3-5-9-7;1-6(2)5-7-8-3-4-9-7/h5-6,11-12,20H,4,7-10H2,1-3H3;3-12,16H,1-2H3;5-10,13H,1-4H3;3-7,14H,1-2H3;4-7,12H,11H2,1-3H3;4-8,11H,1-3H3;4-7,11H,1-3H3;3-7H,1-2H3,(H,9,10);3-7,10H,1-2H3;3-7H,1-2H3,(H,9,10);2*3-6H,1-2H3,(H,8,9,10);3-4,6H,5H2,1-2H3
• InChIKey: NAEVHUXGAYZQDV-UHFFFAOYSA-N
• XLogP: 33.06
• TPSA: 292.87 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 25
• Rotatable Bonds: 30
• Heavy Atoms: 158
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2195.11
LogP ≤ 5	33.06
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N,2-di(propan-2-yl)aniline;4-(4-ethylpiperazin-1-yl)-N-propan-2-yl-3-(trifluoromethyl)aniline;4-methyl-N-propan-2-ylaniline;2-methyl-3-N-propan-2-ylbenzene-1,3-diamine;2-methyl-N-propan-2-ylpyridin-3-amine;2-(2-methylpropyl)-1,3-thiazole;2-phenyl-N-propan-2-ylaniline;N-propan-2-ylpyridin-2-amine;N-propan-2-ylpyridin-3-amine;N-propan-2-ylpyridin-4-amine;N-propan-2-ylpyrimidin-2-amine;N-propan-2-ylpyrimidin-4-amine;N-propan-2-yl-2-(trifluoromethyl)aniline?

The IUPAC name of N,2-di(propan-2-yl)aniline;4-(4-ethylpiperazin-1-yl)-N-propan-2-yl-3-(trifluoromethyl)aniline;4-methyl-N-propan-2-ylaniline;2-methyl-3-N-propan-2-ylbenzene-1,3-diamine;2-methyl-N-propan-2-ylpyridin-3-amine;2-(2-methylpropyl)-1,3-thiazole;2-phenyl-N-propan-2-ylaniline;N-propan-2-ylpyridin-2-amine;N-propan-2-ylpyridin-3-amine;N-propan-2-ylpyridin-4-amine;N-propan-2-ylpyrimidin-2-amine;N-propan-2-ylpyrimidin-4-amine;N-propan-2-yl-2-(trifluoromethyl)aniline (CID 159722367) is N,2-di(propan-2-yl)aniline;4-(4-ethylpiperazin-1-yl)-N-propan-2-yl-3-(trifluoromethyl)aniline;4-methyl-N-propan-2-ylaniline;2-methyl-3-N-propan-2-ylbenzene-1,3-diamine;2-methyl-N-propan-2-ylpyridin-3-amine;2-(2-methylpropyl)-1,3-thiazole;2-phenyl-N-propan-2-ylaniline;N-propan-2-ylpyridin-2-amine;N-propan-2-ylpyridin-3-amine;N-propan-2-ylpyridin-4-amine;N-propan-2-ylpyrimidin-2-amine;N-propan-2-ylpyrimidin-4-amine;N-propan-2-yl-2-(trifluoromethyl)aniline.

What is the SMILES notation for N,2-di(propan-2-yl)aniline;4-(4-ethylpiperazin-1-yl)-N-propan-2-yl-3-(trifluoromethyl)aniline;4-methyl-N-propan-2-ylaniline;2-methyl-3-N-propan-2-ylbenzene-1,3-diamine;2-methyl-N-propan-2-ylpyridin-3-amine;2-(2-methylpropyl)-1,3-thiazole;2-phenyl-N-propan-2-ylaniline;N-propan-2-ylpyridin-2-amine;N-propan-2-ylpyridin-3-amine;N-propan-2-ylpyridin-4-amine;N-propan-2-ylpyrimidin-2-amine;N-propan-2-ylpyrimidin-4-amine;N-propan-2-yl-2-(trifluoromethyl)aniline?

The canonical SMILES for N,2-di(propan-2-yl)aniline;4-(4-ethylpiperazin-1-yl)-N-propan-2-yl-3-(trifluoromethyl)aniline;4-methyl-N-propan-2-ylaniline;2-methyl-3-N-propan-2-ylbenzene-1,3-diamine;2-methyl-N-propan-2-ylpyridin-3-amine;2-(2-methylpropyl)-1,3-thiazole;2-phenyl-N-propan-2-ylaniline;N-propan-2-ylpyridin-2-amine;N-propan-2-ylpyridin-3-amine;N-propan-2-ylpyridin-4-amine;N-propan-2-ylpyrimidin-2-amine;N-propan-2-ylpyrimidin-4-amine;N-propan-2-yl-2-(trifluoromethyl)aniline is CC(C)Cc1nccs1.CC(C)Nc1ccccc1-c1ccccc1.CC(C)Nc1ccccc1C(C)C.CC(C)Nc1ccccc1C(F)(F)F.CC(C)Nc1ccccn1.CC(C)Nc1cccnc1.CC(C)Nc1ccncc1.CC(C)Nc1ccncn1.CC(C)Nc1ncccn1.CCN1CCN(c2ccc(NC(C)C)cc2C(F)(F)F)CC1.Cc1c(N)cccc1NC(C)C.Cc1ccc(NC(C)C)cc1.Cc1ncccc1NC(C)C.

What is the InChIKey of N,2-di(propan-2-yl)aniline;4-(4-ethylpiperazin-1-yl)-N-propan-2-yl-3-(trifluoromethyl)aniline;4-methyl-N-propan-2-ylaniline;2-methyl-3-N-propan-2-ylbenzene-1,3-diamine;2-methyl-N-propan-2-ylpyridin-3-amine;2-(2-methylpropyl)-1,3-thiazole;2-phenyl-N-propan-2-ylaniline;N-propan-2-ylpyridin-2-amine;N-propan-2-ylpyridin-3-amine;N-propan-2-ylpyridin-4-amine;N-propan-2-ylpyrimidin-2-amine;N-propan-2-ylpyrimidin-4-amine;N-propan-2-yl-2-(trifluoromethyl)aniline?

The InChIKey is NAEVHUXGAYZQDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24F3N3.C15H17N.C12H19N.C10H12F3N.C10H16N2.C10H15N.C9H14N2.3C8H12N2.2C7H11N3.C7H11NS/c1-4-21-7-9-22(10-8-21)15-6-5-13(20-12(2)3)11-14(15)16(17,18)19;1-12(2)16-15-11-7-6-10-14(15)13-8-4-3-5-9-13;1-9(2)11-7-5-6-8-12(11)13-10(3)4;1-7(2)14-9-6-4-3-5-8(9)10(11,12)13;1-7(2)12-10-6-4-5-9(11)8(10)3;1-8(2)11-10-6-4-9(3)5-7-10;1-7(2)11-9-5-4-6-10-8(9)3;1-7(2)10-8-3-5-9-6-4-8;1-7(2)10-8-4-3-5-9-6-8;1-7(2)10-8-5-3-4-6-9-8;1-6(2)10-7-3-4-8-5-9-7;1-6(2)10-7-8-4-3-5-9-7;1-6(2)5-7-8-3-4-9-7/h5-6,11-12,20H,4,7-10H2,1-3H3;3-12,16H,1-2H3;5-10,13H,1-4H3;3-7,14H,1-2H3;4-7,12H,11H2,1-3H3;4-8,11H,1-3H3;4-7,11H,1-3H3;3-7H,1-2H3,(H,9,10);3-7,10H,1-2H3;3-7H,1-2H3,(H,9,10);2*3-6H,1-2H3,(H,8,9,10);3-4,6H,5H2,1-2H3.

What are the key properties of N,2-di(propan-2-yl)aniline;4-(4-ethylpiperazin-1-yl)-N-propan-2-yl-3-(trifluoromethyl)aniline;4-methyl-N-propan-2-ylaniline;2-methyl-3-N-propan-2-ylbenzene-1,3-diamine;2-methyl-N-propan-2-ylpyridin-3-amine;2-(2-methylpropyl)-1,3-thiazole;2-phenyl-N-propan-2-ylaniline;N-propan-2-ylpyridin-2-amine;N-propan-2-ylpyridin-3-amine;N-propan-2-ylpyridin-4-amine;N-propan-2-ylpyrimidin-2-amine;N-propan-2-ylpyrimidin-4-amine;N-propan-2-yl-2-(trifluoromethyl)aniline?

N,2-di(propan-2-yl)aniline;4-(4-ethylpiperazin-1-yl)-N-propan-2-yl-3-(trifluoromethyl)aniline;4-methyl-N-propan-2-ylaniline;2-methyl-3-N-propan-2-ylbenzene-1,3-diamine;2-methyl-N-propan-2-ylpyridin-3-amine;2-(2-methylpropyl)-1,3-thiazole;2-phenyl-N-propan-2-ylaniline;N-propan-2-ylpyridin-2-amine;N-propan-2-ylpyridin-3-amine;N-propan-2-ylpyridin-4-amine;N-propan-2-ylpyrimidin-2-amine;N-propan-2-ylpyrimidin-4-amine;N-propan-2-yl-2-(trifluoromethyl)aniline has a molecular weight of 2195.11 g/mol, XLogP of 33.06, 30 rotatable bonds, 13 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for N,2-di(propan-2-yl)aniline;4-(4-ethylpiperazin-1-yl)-N-propan-2-yl-3-(trifluoromethyl)aniline;4-methyl-N-propan-2-ylaniline;2-methyl-3-N-propan-2-ylbenzene-1,3-diamine;2-methyl-N-propan-2-ylpyridin-3-amine;2-(2-methylpropyl)-1,3-thiazole;2-phenyl-N-propan-2-ylaniline;N-propan-2-ylpyridin-2-amine;N-propan-2-ylpyridin-3-amine;N-propan-2-ylpyridin-4-amine;N-propan-2-ylpyrimidin-2-amine;N-propan-2-ylpyrimidin-4-amine;N-propan-2-yl-2-(trifluoromethyl)aniline is sourced from PubChem (CID 159722367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).