aniline;2-(dimethylamino)-4-methyl-1,3-oxazin-6-one;N,N-dimethylaniline;2,6-dimethylpyridine;5-ethyl-2-methylpyridine;1-fluoro-3,5-dimethoxybenzene;1-methoxy-4-(trifluoromethyl)benzene;2-methylpyridine;3-methylpyridine;4-methylpyridine;1-methylpyrrole;1-(1-methylpyrrol-2-yl)ethanone;pyridine;1-pyridin-3-ylethanone;3H-pyrrole;4-(trifluoromethyl)aniline;trifluoromethylbenzene

C112H129F10N15O7 — CID 159381066

About aniline;2-(dimethylamino)-4-methyl-1,3-oxazin-6-one;N,N-dimethylaniline;2,6-dimethylpyridine;5-ethyl-2-methylpyridine;1-fluoro-3,5-dimethoxybenzene;1-methoxy-4-(trifluoromethyl)benzene;2-methylpyridine;3-methylpyridine;4-methylpyridine;1-methylpyrrole;1-(1-methylpyrrol-2-yl)ethanone;pyridine;1-pyridin-3-ylethanone;3H-pyrrole;4-(trifluoromethyl)aniline;trifluoromethylbenzene

aniline;2-(dimethylamino)-4-methyl-1,3-oxazin-6-one;N,N-dimethylaniline;2,6-dimethylpyridine;5-ethyl-2-methylpyridine;1-fluoro-3,5-dimethoxybenzene;1-methoxy-4-(trifluoromethyl)benzene;2-methylpyridine;3-methylpyridine;4-methylpyridine;1-methylpyrrole;1-(1-methylpyrrol-2-yl)ethanone;pyridine;1-pyridin-3-ylethanone;3H-pyrrole;4-(trifluoromethyl)aniline;trifluoromethylbenzene (PubChem CID 159381066) has the molecular formula C112H129F10N15O7 and a molecular weight of 1987.34 g/mol. Its IUPAC name is aniline;2-(dimethylamino)-4-methyl-1,3-oxazin-6-one;N,N-dimethylaniline;2,6-dimethylpyridine;5-ethyl-2-methylpyridine;1-fluoro-3,5-dimethoxybenzene;1-methoxy-4-(trifluoromethyl)benzene;2-methylpyridine;3-methylpyridine;4-methylpyridine;1-methylpyrrole;1-(1-methylpyrrol-2-yl)ethanone;pyridine;1-pyridin-3-ylethanone;3H-pyrrole;4-(trifluoromethyl)aniline;trifluoromethylbenzene.

Molecular Properties

• Compound Name: aniline;2-(dimethylamino)-4-methyl-1,3-oxazin-6-one;N,N-dimethylaniline;2,6-dimethylpyridine;5-ethyl-2-methylpyridine;1-fluoro-3,5-dimethoxybenzene;1-methoxy-4-(trifluoromethyl)benzene;2-methylpyridine;3-methylpyridine;4-methylpyridine;1-methylpyrrole;1-(1-methylpyrrol-2-yl)ethanone;pyridine;1-pyridin-3-ylethanone;3H-pyrrole;4-(trifluoromethyl)aniline;trifluoromethylbenzene
• PubChem CID: 159381066
• Molecular Formula: C112H129F10N15O7
• Molecular Weight: 1987.34 g/mol
• Exact Mass: 1986.00
• IUPAC Name: aniline;2-(dimethylamino)-4-methyl-1,3-oxazin-6-one;N,N-dimethylaniline;2,6-dimethylpyridine;5-ethyl-2-methylpyridine;1-fluoro-3,5-dimethoxybenzene;1-methoxy-4-(trifluoromethyl)benzene;2-methylpyridine;3-methylpyridine;4-methylpyridine;1-methylpyrrole;1-(1-methylpyrrol-2-yl)ethanone;pyridine;1-pyridin-3-ylethanone;3H-pyrrole;4-(trifluoromethyl)aniline;trifluoromethylbenzene
• SMILES: C1=CN=CC1.CC(=O)c1cccn1C.CC(=O)c1cccnc1.CCc1ccc(C)nc1.CN(C)c1ccccc1.COc1cc(F)cc(OC)c1.COc1ccc(C(F)(F)F)cc1.Cc1cc(=O)oc(N(C)C)n1.Cc1cccc(C)n1.Cc1ccccn1.Cc1cccnc1.Cc1ccncc1.Cn1cccc1.FC(F)(F)c1ccccc1.Nc1ccc(C(F)(F)F)cc1.Nc1ccccc1.c1ccncc1
• InChI: InChI=1S/C8H7F3O.C8H9FO2.2C8H11N.C7H6F3N.C7H5F3.C7H10N2O2.C7H9NO.C7H7NO.C7H9N.4C6H7N.C5H7N.C5H5N.C4H5N/c1-12-7-4-2-6(3-5-7)8(9,10)11;1-10-7-3-6(9)4-8(5-7)11-2;1-9(2)8-6-4-3-5-7-8;1-3-8-5-4-7(2)9-6-8;8-7(9,10)5-1-3-6(11)4-2-5;8-7(9,10)6-4-2-1-3-5-6;1-5-4-6(10)11-7(8-5)9(2)3;1-6(9)7-4-3-5-8(7)2;1-6(9)7-3-2-4-8-5-7;1-6-4-3-5-7(2)8-6;1-6-2-4-7-5-3-6;1-6-3-2-4-7-5-6;1-6-4-2-3-5-7-6;7-6-4-2-1-3-5-6;1-6-4-2-3-5-6;1-2-4-6-5-3-1;1-2-4-5-3-1/h2-5H,1H3;3-5H,1-2H3;3-7H,1-2H3;4-6H,3H2,1-2H3;1-4H,11H2;1-5H;4H,1-3H3;3-5H,1-2H3;2-5H,1H3;3-5H,1-2H3;3*2-5H,1H3;1-5H,7H2;2-5H,1H3;1-5H;1,3-4H,2H2
• InChIKey: LKXJXZUFUDJANS-UHFFFAOYSA-N
• XLogP: 26.39
• TPSA: 275.90 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 22
• Rotatable Bonds: 8
• Heavy Atoms: 144
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1987.34
LogP ≤ 5	26.39
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of aniline;2-(dimethylamino)-4-methyl-1,3-oxazin-6-one;N,N-dimethylaniline;2,6-dimethylpyridine;5-ethyl-2-methylpyridine;1-fluoro-3,5-dimethoxybenzene;1-methoxy-4-(trifluoromethyl)benzene;2-methylpyridine;3-methylpyridine;4-methylpyridine;1-methylpyrrole;1-(1-methylpyrrol-2-yl)ethanone;pyridine;1-pyridin-3-ylethanone;3H-pyrrole;4-(trifluoromethyl)aniline;trifluoromethylbenzene?

The IUPAC name of aniline;2-(dimethylamino)-4-methyl-1,3-oxazin-6-one;N,N-dimethylaniline;2,6-dimethylpyridine;5-ethyl-2-methylpyridine;1-fluoro-3,5-dimethoxybenzene;1-methoxy-4-(trifluoromethyl)benzene;2-methylpyridine;3-methylpyridine;4-methylpyridine;1-methylpyrrole;1-(1-methylpyrrol-2-yl)ethanone;pyridine;1-pyridin-3-ylethanone;3H-pyrrole;4-(trifluoromethyl)aniline;trifluoromethylbenzene (CID 159381066) is aniline;2-(dimethylamino)-4-methyl-1,3-oxazin-6-one;N,N-dimethylaniline;2,6-dimethylpyridine;5-ethyl-2-methylpyridine;1-fluoro-3,5-dimethoxybenzene;1-methoxy-4-(trifluoromethyl)benzene;2-methylpyridine;3-methylpyridine;4-methylpyridine;1-methylpyrrole;1-(1-methylpyrrol-2-yl)ethanone;pyridine;1-pyridin-3-ylethanone;3H-pyrrole;4-(trifluoromethyl)aniline;trifluoromethylbenzene.

What is the SMILES notation for aniline;2-(dimethylamino)-4-methyl-1,3-oxazin-6-one;N,N-dimethylaniline;2,6-dimethylpyridine;5-ethyl-2-methylpyridine;1-fluoro-3,5-dimethoxybenzene;1-methoxy-4-(trifluoromethyl)benzene;2-methylpyridine;3-methylpyridine;4-methylpyridine;1-methylpyrrole;1-(1-methylpyrrol-2-yl)ethanone;pyridine;1-pyridin-3-ylethanone;3H-pyrrole;4-(trifluoromethyl)aniline;trifluoromethylbenzene?

The canonical SMILES for aniline;2-(dimethylamino)-4-methyl-1,3-oxazin-6-one;N,N-dimethylaniline;2,6-dimethylpyridine;5-ethyl-2-methylpyridine;1-fluoro-3,5-dimethoxybenzene;1-methoxy-4-(trifluoromethyl)benzene;2-methylpyridine;3-methylpyridine;4-methylpyridine;1-methylpyrrole;1-(1-methylpyrrol-2-yl)ethanone;pyridine;1-pyridin-3-ylethanone;3H-pyrrole;4-(trifluoromethyl)aniline;trifluoromethylbenzene is C1=CN=CC1.CC(=O)c1cccn1C.CC(=O)c1cccnc1.CCc1ccc(C)nc1.CN(C)c1ccccc1.COc1cc(F)cc(OC)c1.COc1ccc(C(F)(F)F)cc1.Cc1cc(=O)oc(N(C)C)n1.Cc1cccc(C)n1.Cc1ccccn1.Cc1cccnc1.Cc1ccncc1.Cn1cccc1.FC(F)(F)c1ccccc1.Nc1ccc(C(F)(F)F)cc1.Nc1ccccc1.c1ccncc1.

What is the InChIKey of aniline;2-(dimethylamino)-4-methyl-1,3-oxazin-6-one;N,N-dimethylaniline;2,6-dimethylpyridine;5-ethyl-2-methylpyridine;1-fluoro-3,5-dimethoxybenzene;1-methoxy-4-(trifluoromethyl)benzene;2-methylpyridine;3-methylpyridine;4-methylpyridine;1-methylpyrrole;1-(1-methylpyrrol-2-yl)ethanone;pyridine;1-pyridin-3-ylethanone;3H-pyrrole;4-(trifluoromethyl)aniline;trifluoromethylbenzene?

The InChIKey is LKXJXZUFUDJANS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F3O.C8H9FO2.2C8H11N.C7H6F3N.C7H5F3.C7H10N2O2.C7H9NO.C7H7NO.C7H9N.4C6H7N.C5H7N.C5H5N.C4H5N/c1-12-7-4-2-6(3-5-7)8(9,10)11;1-10-7-3-6(9)4-8(5-7)11-2;1-9(2)8-6-4-3-5-7-8;1-3-8-5-4-7(2)9-6-8;8-7(9,10)5-1-3-6(11)4-2-5;8-7(9,10)6-4-2-1-3-5-6;1-5-4-6(10)11-7(8-5)9(2)3;1-6(9)7-4-3-5-8(7)2;1-6(9)7-3-2-4-8-5-7;1-6-4-3-5-7(2)8-6;1-6-2-4-7-5-3-6;1-6-3-2-4-7-5-6;1-6-4-2-3-5-7-6;7-6-4-2-1-3-5-6;1-6-4-2-3-5-6;1-2-4-6-5-3-1;1-2-4-5-3-1/h2-5H,1H3;3-5H,1-2H3;3-7H,1-2H3;4-6H,3H2,1-2H3;1-4H,11H2;1-5H;4H,1-3H3;3-5H,1-2H3;2-5H,1H3;3-5H,1-2H3;3*2-5H,1H3;1-5H,7H2;2-5H,1H3;1-5H;1,3-4H,2H2.

What are the key properties of aniline;2-(dimethylamino)-4-methyl-1,3-oxazin-6-one;N,N-dimethylaniline;2,6-dimethylpyridine;5-ethyl-2-methylpyridine;1-fluoro-3,5-dimethoxybenzene;1-methoxy-4-(trifluoromethyl)benzene;2-methylpyridine;3-methylpyridine;4-methylpyridine;1-methylpyrrole;1-(1-methylpyrrol-2-yl)ethanone;pyridine;1-pyridin-3-ylethanone;3H-pyrrole;4-(trifluoromethyl)aniline;trifluoromethylbenzene?

aniline;2-(dimethylamino)-4-methyl-1,3-oxazin-6-one;N,N-dimethylaniline;2,6-dimethylpyridine;5-ethyl-2-methylpyridine;1-fluoro-3,5-dimethoxybenzene;1-methoxy-4-(trifluoromethyl)benzene;2-methylpyridine;3-methylpyridine;4-methylpyridine;1-methylpyrrole;1-(1-methylpyrrol-2-yl)ethanone;pyridine;1-pyridin-3-ylethanone;3H-pyrrole;4-(trifluoromethyl)aniline;trifluoromethylbenzene has a molecular weight of 1987.34 g/mol, XLogP of 26.39, 8 rotatable bonds, 2 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for aniline;2-(dimethylamino)-4-methyl-1,3-oxazin-6-one;N,N-dimethylaniline;2,6-dimethylpyridine;5-ethyl-2-methylpyridine;1-fluoro-3,5-dimethoxybenzene;1-methoxy-4-(trifluoromethyl)benzene;2-methylpyridine;3-methylpyridine;4-methylpyridine;1-methylpyrrole;1-(1-methylpyrrol-2-yl)ethanone;pyridine;1-pyridin-3-ylethanone;3H-pyrrole;4-(trifluoromethyl)aniline;trifluoromethylbenzene is sourced from PubChem (CID 159381066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).