aniline;N-cyclopropylpyridin-2-amine;N,5-dimethylpyridin-2-amine;4-ethylaniline;N-ethylpyridin-2-amine;bis(2-fluoropyridine);N-(2-methoxyethyl)-2,2-dimethyl-N-phenylpropanamide;2-(3-methoxypropyl)pyridine;4-methylaniline;bis(N-methylpyridin-2-amine);tris(pyridine);pyridin-2-ylmethanamine;1-pyridin-2-ylpiperazine;2-(trifluoromethyl)pyridine

C124H155F5N26O3 — CID 158574458

About aniline;N-cyclopropylpyridin-2-amine;N,5-dimethylpyridin-2-amine;4-ethylaniline;N-ethylpyridin-2-amine;bis(2-fluoropyridine);N-(2-methoxyethyl)-2,2-dimethyl-N-phenylpropanamide;2-(3-methoxypropyl)pyridine;4-methylaniline;bis(N-methylpyridin-2-amine);tris(pyridine);pyridin-2-ylmethanamine;1-pyridin-2-ylpiperazine;2-(trifluoromethyl)pyridine

aniline;N-cyclopropylpyridin-2-amine;N,5-dimethylpyridin-2-amine;4-ethylaniline;N-ethylpyridin-2-amine;bis(2-fluoropyridine);N-(2-methoxyethyl)-2,2-dimethyl-N-phenylpropanamide;2-(3-methoxypropyl)pyridine;4-methylaniline;bis(N-methylpyridin-2-amine);tris(pyridine);pyridin-2-ylmethanamine;1-pyridin-2-ylpiperazine;2-(trifluoromethyl)pyridine (PubChem CID 158574458) has the molecular formula C124H155F5N26O3 and a molecular weight of 2152.77 g/mol. Its IUPAC name is aniline;N-cyclopropylpyridin-2-amine;N,5-dimethylpyridin-2-amine;4-ethylaniline;N-ethylpyridin-2-amine;bis(2-fluoropyridine);N-(2-methoxyethyl)-2,2-dimethyl-N-phenylpropanamide;2-(3-methoxypropyl)pyridine;4-methylaniline;bis(N-methylpyridin-2-amine);tris(pyridine);pyridin-2-ylmethanamine;1-pyridin-2-ylpiperazine;2-(trifluoromethyl)pyridine.

Molecular Properties

• Compound Name: aniline;N-cyclopropylpyridin-2-amine;N,5-dimethylpyridin-2-amine;4-ethylaniline;N-ethylpyridin-2-amine;bis(2-fluoropyridine);N-(2-methoxyethyl)-2,2-dimethyl-N-phenylpropanamide;2-(3-methoxypropyl)pyridine;4-methylaniline;bis(N-methylpyridin-2-amine);tris(pyridine);pyridin-2-ylmethanamine;1-pyridin-2-ylpiperazine;2-(trifluoromethyl)pyridine
• PubChem CID: 158574458
• Molecular Formula: C124H155F5N26O3
• Molecular Weight: 2152.77 g/mol
• Exact Mass: 2151.27
• IUPAC Name: aniline;N-cyclopropylpyridin-2-amine;N,5-dimethylpyridin-2-amine;4-ethylaniline;N-ethylpyridin-2-amine;bis(2-fluoropyridine);N-(2-methoxyethyl)-2,2-dimethyl-N-phenylpropanamide;2-(3-methoxypropyl)pyridine;4-methylaniline;bis(N-methylpyridin-2-amine);tris(pyridine);pyridin-2-ylmethanamine;1-pyridin-2-ylpiperazine;2-(trifluoromethyl)pyridine
• SMILES: CCNc1ccccn1.CCc1ccc(N)cc1.CNc1ccc(C)cn1.CNc1ccccn1.CNc1ccccn1.COCCCc1ccccn1.COCCN(C(=O)C(C)(C)C)c1ccccc1.Cc1ccc(N)cc1.FC(F)(F)c1ccccn1.Fc1ccccn1.Fc1ccccn1.NCc1ccccn1.Nc1ccccc1.c1ccc(N2CCNCC2)nc1.c1ccc(NC2CC2)nc1.c1ccncc1.c1ccncc1.c1ccncc1
• InChI: InChI=1S/C14H21NO2.C9H13N3.C9H13NO.C8H10N2.C8H11N.2C7H10N2.C7H9N.C6H4F3N.3C6H8N2.C6H7N.2C5H4FN.3C5H5N/c1-14(2,3)13(16)15(10-11-17-4)12-8-6-5-7-9-12;1-2-4-11-9(3-1)12-7-5-10-6-8-12;1-11-8-4-6-9-5-2-3-7-10-9;1-2-6-9-8(3-1)10-7-4-5-7;1-2-7-3-5-8(9)6-4-7;1-6-3-4-7(8-2)9-5-6;1-2-8-7-5-3-4-6-9-7;1-6-2-4-7(8)5-3-6;7-6(8,9)5-3-1-2-4-10-5;2*1-7-6-4-2-3-5-8-6;7-5-6-3-1-2-4-8-6;7-6-4-2-1-3-5-6;2*6-5-3-1-2-4-7-5;3*1-2-4-6-5-3-1/h5-9H,10-11H2,1-4H3;1-4,10H,5-8H2;2-3,5,7H,4,6,8H2,1H3;1-3,6-7H,4-5H2,(H,9,10);3-6H,2,9H2,1H3;3-5H,1-2H3,(H,8,9);3-6H,2H2,1H3,(H,8,9);2-5H,8H2,1H3;1-4H;2*2-5H,1H3,(H,7,8);1-4H,5,7H2;1-5H,7H2;2*1-4H;3*1-5H
• InChIKey: HSMIFYQKHIVVAX-UHFFFAOYSA-N
• XLogP: 24.72
• TPSA: 398.73 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 28
• Rotatable Bonds: 18
• Heavy Atoms: 158
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2152.77
LogP ≤ 5	24.72
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of aniline;N-cyclopropylpyridin-2-amine;N,5-dimethylpyridin-2-amine;4-ethylaniline;N-ethylpyridin-2-amine;bis(2-fluoropyridine);N-(2-methoxyethyl)-2,2-dimethyl-N-phenylpropanamide;2-(3-methoxypropyl)pyridine;4-methylaniline;bis(N-methylpyridin-2-amine);tris(pyridine);pyridin-2-ylmethanamine;1-pyridin-2-ylpiperazine;2-(trifluoromethyl)pyridine?

The IUPAC name of aniline;N-cyclopropylpyridin-2-amine;N,5-dimethylpyridin-2-amine;4-ethylaniline;N-ethylpyridin-2-amine;bis(2-fluoropyridine);N-(2-methoxyethyl)-2,2-dimethyl-N-phenylpropanamide;2-(3-methoxypropyl)pyridine;4-methylaniline;bis(N-methylpyridin-2-amine);tris(pyridine);pyridin-2-ylmethanamine;1-pyridin-2-ylpiperazine;2-(trifluoromethyl)pyridine (CID 158574458) is aniline;N-cyclopropylpyridin-2-amine;N,5-dimethylpyridin-2-amine;4-ethylaniline;N-ethylpyridin-2-amine;bis(2-fluoropyridine);N-(2-methoxyethyl)-2,2-dimethyl-N-phenylpropanamide;2-(3-methoxypropyl)pyridine;4-methylaniline;bis(N-methylpyridin-2-amine);tris(pyridine);pyridin-2-ylmethanamine;1-pyridin-2-ylpiperazine;2-(trifluoromethyl)pyridine.

What is the SMILES notation for aniline;N-cyclopropylpyridin-2-amine;N,5-dimethylpyridin-2-amine;4-ethylaniline;N-ethylpyridin-2-amine;bis(2-fluoropyridine);N-(2-methoxyethyl)-2,2-dimethyl-N-phenylpropanamide;2-(3-methoxypropyl)pyridine;4-methylaniline;bis(N-methylpyridin-2-amine);tris(pyridine);pyridin-2-ylmethanamine;1-pyridin-2-ylpiperazine;2-(trifluoromethyl)pyridine?

The canonical SMILES for aniline;N-cyclopropylpyridin-2-amine;N,5-dimethylpyridin-2-amine;4-ethylaniline;N-ethylpyridin-2-amine;bis(2-fluoropyridine);N-(2-methoxyethyl)-2,2-dimethyl-N-phenylpropanamide;2-(3-methoxypropyl)pyridine;4-methylaniline;bis(N-methylpyridin-2-amine);tris(pyridine);pyridin-2-ylmethanamine;1-pyridin-2-ylpiperazine;2-(trifluoromethyl)pyridine is CCNc1ccccn1.CCc1ccc(N)cc1.CNc1ccc(C)cn1.CNc1ccccn1.CNc1ccccn1.COCCCc1ccccn1.COCCN(C(=O)C(C)(C)C)c1ccccc1.Cc1ccc(N)cc1.FC(F)(F)c1ccccn1.Fc1ccccn1.Fc1ccccn1.NCc1ccccn1.Nc1ccccc1.c1ccc(N2CCNCC2)nc1.c1ccc(NC2CC2)nc1.c1ccncc1.c1ccncc1.c1ccncc1.

What is the InChIKey of aniline;N-cyclopropylpyridin-2-amine;N,5-dimethylpyridin-2-amine;4-ethylaniline;N-ethylpyridin-2-amine;bis(2-fluoropyridine);N-(2-methoxyethyl)-2,2-dimethyl-N-phenylpropanamide;2-(3-methoxypropyl)pyridine;4-methylaniline;bis(N-methylpyridin-2-amine);tris(pyridine);pyridin-2-ylmethanamine;1-pyridin-2-ylpiperazine;2-(trifluoromethyl)pyridine?

The InChIKey is HSMIFYQKHIVVAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2.C9H13N3.C9H13NO.C8H10N2.C8H11N.2C7H10N2.C7H9N.C6H4F3N.3C6H8N2.C6H7N.2C5H4FN.3C5H5N/c1-14(2,3)13(16)15(10-11-17-4)12-8-6-5-7-9-12;1-2-4-11-9(3-1)12-7-5-10-6-8-12;1-11-8-4-6-9-5-2-3-7-10-9;1-2-6-9-8(3-1)10-7-4-5-7;1-2-7-3-5-8(9)6-4-7;1-6-3-4-7(8-2)9-5-6;1-2-8-7-5-3-4-6-9-7;1-6-2-4-7(8)5-3-6;7-6(8,9)5-3-1-2-4-10-5;2*1-7-6-4-2-3-5-8-6;7-5-6-3-1-2-4-8-6;7-6-4-2-1-3-5-6;2*6-5-3-1-2-4-7-5;3*1-2-4-6-5-3-1/h5-9H,10-11H2,1-4H3;1-4,10H,5-8H2;2-3,5,7H,4,6,8H2,1H3;1-3,6-7H,4-5H2,(H,9,10);3-6H,2,9H2,1H3;3-5H,1-2H3,(H,8,9);3-6H,2H2,1H3,(H,8,9);2-5H,8H2,1H3;1-4H;2*2-5H,1H3,(H,7,8);1-4H,5,7H2;1-5H,7H2;2*1-4H;3*1-5H.

What are the key properties of aniline;N-cyclopropylpyridin-2-amine;N,5-dimethylpyridin-2-amine;4-ethylaniline;N-ethylpyridin-2-amine;bis(2-fluoropyridine);N-(2-methoxyethyl)-2,2-dimethyl-N-phenylpropanamide;2-(3-methoxypropyl)pyridine;4-methylaniline;bis(N-methylpyridin-2-amine);tris(pyridine);pyridin-2-ylmethanamine;1-pyridin-2-ylpiperazine;2-(trifluoromethyl)pyridine?

aniline;N-cyclopropylpyridin-2-amine;N,5-dimethylpyridin-2-amine;4-ethylaniline;N-ethylpyridin-2-amine;bis(2-fluoropyridine);N-(2-methoxyethyl)-2,2-dimethyl-N-phenylpropanamide;2-(3-methoxypropyl)pyridine;4-methylaniline;bis(N-methylpyridin-2-amine);tris(pyridine);pyridin-2-ylmethanamine;1-pyridin-2-ylpiperazine;2-(trifluoromethyl)pyridine has a molecular weight of 2152.77 g/mol, XLogP of 24.72, 18 rotatable bonds, 10 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for aniline;N-cyclopropylpyridin-2-amine;N,5-dimethylpyridin-2-amine;4-ethylaniline;N-ethylpyridin-2-amine;bis(2-fluoropyridine);N-(2-methoxyethyl)-2,2-dimethyl-N-phenylpropanamide;2-(3-methoxypropyl)pyridine;4-methylaniline;bis(N-methylpyridin-2-amine);tris(pyridine);pyridin-2-ylmethanamine;1-pyridin-2-ylpiperazine;2-(trifluoromethyl)pyridine is sourced from PubChem (CID 158574458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).