N,N-dimethyl-4-(2-methylpropyl)aniline;2,4-dimethyl-1-(2-methylpropyl)benzene;2-fluoro-4-methyl-1-(2-methylpropyl)benzene;1-methyl-4-(2-methylpropyl)benzene;4-(2-methyl-1-phenylpropyl)oxane;2-methylpropylbenzene;2-(2-pyridin-2-ylpropan-2-yl)pyridine

C84H118FN3O — CID 167608454

About N,N-dimethyl-4-(2-methylpropyl)aniline;2,4-dimethyl-1-(2-methylpropyl)benzene;2-fluoro-4-methyl-1-(2-methylpropyl)benzene;1-methyl-4-(2-methylpropyl)benzene;4-(2-methyl-1-phenylpropyl)oxane;2-methylpropylbenzene;2-(2-pyridin-2-ylpropan-2-yl)pyridine

N,N-dimethyl-4-(2-methylpropyl)aniline;2,4-dimethyl-1-(2-methylpropyl)benzene;2-fluoro-4-methyl-1-(2-methylpropyl)benzene;1-methyl-4-(2-methylpropyl)benzene;4-(2-methyl-1-phenylpropyl)oxane;2-methylpropylbenzene;2-(2-pyridin-2-ylpropan-2-yl)pyridine (PubChem CID 167608454) has the molecular formula C84H118FN3O and a molecular weight of 1204.89 g/mol. Its IUPAC name is N,N-dimethyl-4-(2-methylpropyl)aniline;2,4-dimethyl-1-(2-methylpropyl)benzene;2-fluoro-4-methyl-1-(2-methylpropyl)benzene;1-methyl-4-(2-methylpropyl)benzene;4-(2-methyl-1-phenylpropyl)oxane;2-methylpropylbenzene;2-(2-pyridin-2-ylpropan-2-yl)pyridine.

Molecular Properties

• Compound Name: N,N-dimethyl-4-(2-methylpropyl)aniline;2,4-dimethyl-1-(2-methylpropyl)benzene;2-fluoro-4-methyl-1-(2-methylpropyl)benzene;1-methyl-4-(2-methylpropyl)benzene;4-(2-methyl-1-phenylpropyl)oxane;2-methylpropylbenzene;2-(2-pyridin-2-ylpropan-2-yl)pyridine
• PubChem CID: 167608454
• Molecular Formula: C84H118FN3O
• Molecular Weight: 1204.89 g/mol
• Exact Mass: 1203.93
• IUPAC Name: N,N-dimethyl-4-(2-methylpropyl)aniline;2,4-dimethyl-1-(2-methylpropyl)benzene;2-fluoro-4-methyl-1-(2-methylpropyl)benzene;1-methyl-4-(2-methylpropyl)benzene;4-(2-methyl-1-phenylpropyl)oxane;2-methylpropylbenzene;2-(2-pyridin-2-ylpropan-2-yl)pyridine
• SMILES: CC(C)(c1ccccn1)c1ccccn1.CC(C)C(c1ccccc1)C1CCOCC1.CC(C)Cc1ccc(N(C)C)cc1.CC(C)Cc1ccccc1.Cc1ccc(CC(C)C)c(C)c1.Cc1ccc(CC(C)C)c(F)c1.Cc1ccc(CC(C)C)cc1
• InChI: InChI=1S/C15H22O.C13H14N2.C12H19N.C12H18.C11H15F.C11H16.C10H14/c1-12(2)15(13-6-4-3-5-7-13)14-8-10-16-11-9-14;1-13(2,11-7-3-5-9-14-11)12-8-4-6-10-15-12;1-10(2)9-11-5-7-12(8-6-11)13(3)4;1-9(2)7-12-6-5-10(3)8-11(12)4;1-8(2)6-10-5-4-9(3)7-11(10)12;1-9(2)8-11-6-4-10(3)5-7-11;1-9(2)8-10-6-4-3-5-7-10/h3-7,12,14-15H,8-11H2,1-2H3;3-10H,1-2H3;5-8,10H,9H2,1-4H3;5-6,8-9H,7H2,1-4H3;4-5,7-8H,6H2,1-3H3;4-7,9H,8H2,1-3H3;3-7,9H,8H2,1-2H3
• InChIKey: KSAMHTCKYLVMSP-UHFFFAOYSA-N
• XLogP: 22.52
• TPSA: 38.25 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 16
• Heavy Atoms: 89
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1204.89
LogP ≤ 5	22.52
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-(2-methylpropyl)aniline;2,4-dimethyl-1-(2-methylpropyl)benzene;2-fluoro-4-methyl-1-(2-methylpropyl)benzene;1-methyl-4-(2-methylpropyl)benzene;4-(2-methyl-1-phenylpropyl)oxane;2-methylpropylbenzene;2-(2-pyridin-2-ylpropan-2-yl)pyridine?

The IUPAC name of N,N-dimethyl-4-(2-methylpropyl)aniline;2,4-dimethyl-1-(2-methylpropyl)benzene;2-fluoro-4-methyl-1-(2-methylpropyl)benzene;1-methyl-4-(2-methylpropyl)benzene;4-(2-methyl-1-phenylpropyl)oxane;2-methylpropylbenzene;2-(2-pyridin-2-ylpropan-2-yl)pyridine (CID 167608454) is N,N-dimethyl-4-(2-methylpropyl)aniline;2,4-dimethyl-1-(2-methylpropyl)benzene;2-fluoro-4-methyl-1-(2-methylpropyl)benzene;1-methyl-4-(2-methylpropyl)benzene;4-(2-methyl-1-phenylpropyl)oxane;2-methylpropylbenzene;2-(2-pyridin-2-ylpropan-2-yl)pyridine.

What is the SMILES notation for N,N-dimethyl-4-(2-methylpropyl)aniline;2,4-dimethyl-1-(2-methylpropyl)benzene;2-fluoro-4-methyl-1-(2-methylpropyl)benzene;1-methyl-4-(2-methylpropyl)benzene;4-(2-methyl-1-phenylpropyl)oxane;2-methylpropylbenzene;2-(2-pyridin-2-ylpropan-2-yl)pyridine?

The canonical SMILES for N,N-dimethyl-4-(2-methylpropyl)aniline;2,4-dimethyl-1-(2-methylpropyl)benzene;2-fluoro-4-methyl-1-(2-methylpropyl)benzene;1-methyl-4-(2-methylpropyl)benzene;4-(2-methyl-1-phenylpropyl)oxane;2-methylpropylbenzene;2-(2-pyridin-2-ylpropan-2-yl)pyridine is CC(C)(c1ccccn1)c1ccccn1.CC(C)C(c1ccccc1)C1CCOCC1.CC(C)Cc1ccc(N(C)C)cc1.CC(C)Cc1ccccc1.Cc1ccc(CC(C)C)c(C)c1.Cc1ccc(CC(C)C)c(F)c1.Cc1ccc(CC(C)C)cc1.

What is the InChIKey of N,N-dimethyl-4-(2-methylpropyl)aniline;2,4-dimethyl-1-(2-methylpropyl)benzene;2-fluoro-4-methyl-1-(2-methylpropyl)benzene;1-methyl-4-(2-methylpropyl)benzene;4-(2-methyl-1-phenylpropyl)oxane;2-methylpropylbenzene;2-(2-pyridin-2-ylpropan-2-yl)pyridine?

The InChIKey is KSAMHTCKYLVMSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O.C13H14N2.C12H19N.C12H18.C11H15F.C11H16.C10H14/c1-12(2)15(13-6-4-3-5-7-13)14-8-10-16-11-9-14;1-13(2,11-7-3-5-9-14-11)12-8-4-6-10-15-12;1-10(2)9-11-5-7-12(8-6-11)13(3)4;1-9(2)7-12-6-5-10(3)8-11(12)4;1-8(2)6-10-5-4-9(3)7-11(10)12;1-9(2)8-11-6-4-10(3)5-7-11;1-9(2)8-10-6-4-3-5-7-10/h3-7,12,14-15H,8-11H2,1-2H3;3-10H,1-2H3;5-8,10H,9H2,1-4H3;5-6,8-9H,7H2,1-4H3;4-5,7-8H,6H2,1-3H3;4-7,9H,8H2,1-3H3;3-7,9H,8H2,1-2H3.

What are the key properties of N,N-dimethyl-4-(2-methylpropyl)aniline;2,4-dimethyl-1-(2-methylpropyl)benzene;2-fluoro-4-methyl-1-(2-methylpropyl)benzene;1-methyl-4-(2-methylpropyl)benzene;4-(2-methyl-1-phenylpropyl)oxane;2-methylpropylbenzene;2-(2-pyridin-2-ylpropan-2-yl)pyridine?

N,N-dimethyl-4-(2-methylpropyl)aniline;2,4-dimethyl-1-(2-methylpropyl)benzene;2-fluoro-4-methyl-1-(2-methylpropyl)benzene;1-methyl-4-(2-methylpropyl)benzene;4-(2-methyl-1-phenylpropyl)oxane;2-methylpropylbenzene;2-(2-pyridin-2-ylpropan-2-yl)pyridine has a molecular weight of 1204.89 g/mol, XLogP of 22.52, 16 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N,N-dimethyl-4-(2-methylpropyl)aniline;2,4-dimethyl-1-(2-methylpropyl)benzene;2-fluoro-4-methyl-1-(2-methylpropyl)benzene;1-methyl-4-(2-methylpropyl)benzene;4-(2-methyl-1-phenylpropyl)oxane;2-methylpropylbenzene;2-(2-pyridin-2-ylpropan-2-yl)pyridine is sourced from PubChem (CID 167608454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).