3-chloro-5-[(1R)-2-methyl-1-phenylpropyl]-2-propan-2-yloxypyridine;3-chloro-5-[(1S)-1-phenylethyl]-2-propan-2-yloxypyridine;1-isocyano-4-[(1R)-1-phenylethyl]benzene;2-[(1S)-1-phenylethyl]pyridine;2-[(1R)-1-phenylethyl]pyridine;1-[(1S)-1-phenylethyl]-4-(trifluoromethoxy)benzene;1-[(1R)-1-phenylethyl]-4-(trifluoromethoxy)benzene;propane

C123H153Cl2F6N5O4 — CID 160782764

About 3-chloro-5-[(1R)-2-methyl-1-phenylpropyl]-2-propan-2-yloxypyridine;3-chloro-5-[(1S)-1-phenylethyl]-2-propan-2-yloxypyridine;1-isocyano-4-[(1R)-1-phenylethyl]benzene;2-[(1S)-1-phenylethyl]pyridine;2-[(1R)-1-phenylethyl]pyridine;1-[(1S)-1-phenylethyl]-4-(trifluoromethoxy)benzene;1-[(1R)-1-phenylethyl]-4-(trifluoromethoxy)benzene;propane

3-chloro-5-[(1R)-2-methyl-1-phenylpropyl]-2-propan-2-yloxypyridine;3-chloro-5-[(1S)-1-phenylethyl]-2-propan-2-yloxypyridine;1-isocyano-4-[(1R)-1-phenylethyl]benzene;2-[(1S)-1-phenylethyl]pyridine;2-[(1R)-1-phenylethyl]pyridine;1-[(1S)-1-phenylethyl]-4-(trifluoromethoxy)benzene;1-[(1R)-1-phenylethyl]-4-(trifluoromethoxy)benzene;propane (PubChem CID 160782764) has the molecular formula C123H153Cl2F6N5O4 and a molecular weight of 1950.50 g/mol. Its IUPAC name is 3-chloro-5-[(1R)-2-methyl-1-phenylpropyl]-2-propan-2-yloxypyridine;3-chloro-5-[(1S)-1-phenylethyl]-2-propan-2-yloxypyridine;1-isocyano-4-[(1R)-1-phenylethyl]benzene;2-[(1S)-1-phenylethyl]pyridine;2-[(1R)-1-phenylethyl]pyridine;1-[(1S)-1-phenylethyl]-4-(trifluoromethoxy)benzene;1-[(1R)-1-phenylethyl]-4-(trifluoromethoxy)benzene;propane.

Molecular Properties

• Compound Name: 3-chloro-5-[(1R)-2-methyl-1-phenylpropyl]-2-propan-2-yloxypyridine;3-chloro-5-[(1S)-1-phenylethyl]-2-propan-2-yloxypyridine;1-isocyano-4-[(1R)-1-phenylethyl]benzene;2-[(1S)-1-phenylethyl]pyridine;2-[(1R)-1-phenylethyl]pyridine;1-[(1S)-1-phenylethyl]-4-(trifluoromethoxy)benzene;1-[(1R)-1-phenylethyl]-4-(trifluoromethoxy)benzene;propane
• PubChem CID: 160782764
• Molecular Formula: C123H153Cl2F6N5O4
• Molecular Weight: 1950.50 g/mol
• Exact Mass: 1948.12
• IUPAC Name: 3-chloro-5-[(1R)-2-methyl-1-phenylpropyl]-2-propan-2-yloxypyridine;3-chloro-5-[(1S)-1-phenylethyl]-2-propan-2-yloxypyridine;1-isocyano-4-[(1R)-1-phenylethyl]benzene;2-[(1S)-1-phenylethyl]pyridine;2-[(1R)-1-phenylethyl]pyridine;1-[(1S)-1-phenylethyl]-4-(trifluoromethoxy)benzene;1-[(1R)-1-phenylethyl]-4-(trifluoromethoxy)benzene;propane
• SMILES: CC(C)Oc1ncc([C@@H](C)c2ccccc2)cc1Cl.CC(C)Oc1ncc([C@@H](c2ccccc2)C(C)C)cc1Cl.CCC.CCC.CCC.CCC.CCC.CCC.C[C@@H](c1ccccc1)c1ccc(OC(F)(F)F)cc1.C[C@@H](c1ccccc1)c1ccccn1.C[C@H](c1ccccc1)c1ccc(OC(F)(F)F)cc1.C[C@H](c1ccccc1)c1ccccn1.[C-]#[N+]c1ccc([C@H](C)c2ccccc2)cc1
• InChI: InChI=1S/C18H22ClNO.C16H18ClNO.2C15H13F3O.C15H13N.2C13H13N.6C3H8/c1-12(2)17(14-8-6-5-7-9-14)15-10-16(19)18(20-11-15)21-13(3)4;1-11(2)19-16-15(17)9-14(10-18-16)12(3)13-7-5-4-6-8-13;2*1-11(12-5-3-2-4-6-12)13-7-9-14(10-8-13)19-15(16,17)18;1-12(13-6-4-3-5-7-13)14-8-10-15(16-2)11-9-14;2*1-11(12-7-3-2-4-8-12)13-9-5-6-10-14-13;6*1-3-2/h5-13,17H,1-4H3;4-12H,1-3H3;2*2-11H,1H3;3-12H,1H3;2*2-11H,1H3;6*3H2,1-2H3/t17-;12-;2*11-;12-;2*11-;;;;;;/m1010110....../s1
• InChIKey: SAUIVTITWRJXOU-UKQMHVCBSA-N
• XLogP: 38.81
• TPSA: 92.84 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 21
• Heavy Atoms: 140
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1950.50
LogP ≤ 5	38.81
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-[(1R)-2-methyl-1-phenylpropyl]-2-propan-2-yloxypyridine;3-chloro-5-[(1S)-1-phenylethyl]-2-propan-2-yloxypyridine;1-isocyano-4-[(1R)-1-phenylethyl]benzene;2-[(1S)-1-phenylethyl]pyridine;2-[(1R)-1-phenylethyl]pyridine;1-[(1S)-1-phenylethyl]-4-(trifluoromethoxy)benzene;1-[(1R)-1-phenylethyl]-4-(trifluoromethoxy)benzene;propane?

The IUPAC name of 3-chloro-5-[(1R)-2-methyl-1-phenylpropyl]-2-propan-2-yloxypyridine;3-chloro-5-[(1S)-1-phenylethyl]-2-propan-2-yloxypyridine;1-isocyano-4-[(1R)-1-phenylethyl]benzene;2-[(1S)-1-phenylethyl]pyridine;2-[(1R)-1-phenylethyl]pyridine;1-[(1S)-1-phenylethyl]-4-(trifluoromethoxy)benzene;1-[(1R)-1-phenylethyl]-4-(trifluoromethoxy)benzene;propane (CID 160782764) is 3-chloro-5-[(1R)-2-methyl-1-phenylpropyl]-2-propan-2-yloxypyridine;3-chloro-5-[(1S)-1-phenylethyl]-2-propan-2-yloxypyridine;1-isocyano-4-[(1R)-1-phenylethyl]benzene;2-[(1S)-1-phenylethyl]pyridine;2-[(1R)-1-phenylethyl]pyridine;1-[(1S)-1-phenylethyl]-4-(trifluoromethoxy)benzene;1-[(1R)-1-phenylethyl]-4-(trifluoromethoxy)benzene;propane.

What is the SMILES notation for 3-chloro-5-[(1R)-2-methyl-1-phenylpropyl]-2-propan-2-yloxypyridine;3-chloro-5-[(1S)-1-phenylethyl]-2-propan-2-yloxypyridine;1-isocyano-4-[(1R)-1-phenylethyl]benzene;2-[(1S)-1-phenylethyl]pyridine;2-[(1R)-1-phenylethyl]pyridine;1-[(1S)-1-phenylethyl]-4-(trifluoromethoxy)benzene;1-[(1R)-1-phenylethyl]-4-(trifluoromethoxy)benzene;propane?

The canonical SMILES for 3-chloro-5-[(1R)-2-methyl-1-phenylpropyl]-2-propan-2-yloxypyridine;3-chloro-5-[(1S)-1-phenylethyl]-2-propan-2-yloxypyridine;1-isocyano-4-[(1R)-1-phenylethyl]benzene;2-[(1S)-1-phenylethyl]pyridine;2-[(1R)-1-phenylethyl]pyridine;1-[(1S)-1-phenylethyl]-4-(trifluoromethoxy)benzene;1-[(1R)-1-phenylethyl]-4-(trifluoromethoxy)benzene;propane is CC(C)Oc1ncc([C@@H](C)c2ccccc2)cc1Cl.CC(C)Oc1ncc([C@@H](c2ccccc2)C(C)C)cc1Cl.CCC.CCC.CCC.CCC.CCC.CCC.C[C@@H](c1ccccc1)c1ccc(OC(F)(F)F)cc1.C[C@@H](c1ccccc1)c1ccccn1.C[C@H](c1ccccc1)c1ccc(OC(F)(F)F)cc1.C[C@H](c1ccccc1)c1ccccn1.[C-]#[N+]c1ccc([C@H](C)c2ccccc2)cc1.

What is the InChIKey of 3-chloro-5-[(1R)-2-methyl-1-phenylpropyl]-2-propan-2-yloxypyridine;3-chloro-5-[(1S)-1-phenylethyl]-2-propan-2-yloxypyridine;1-isocyano-4-[(1R)-1-phenylethyl]benzene;2-[(1S)-1-phenylethyl]pyridine;2-[(1R)-1-phenylethyl]pyridine;1-[(1S)-1-phenylethyl]-4-(trifluoromethoxy)benzene;1-[(1R)-1-phenylethyl]-4-(trifluoromethoxy)benzene;propane?

The InChIKey is SAUIVTITWRJXOU-UKQMHVCBSA-N. The full InChI is InChI=1S/C18H22ClNO.C16H18ClNO.2C15H13F3O.C15H13N.2C13H13N.6C3H8/c1-12(2)17(14-8-6-5-7-9-14)15-10-16(19)18(20-11-15)21-13(3)4;1-11(2)19-16-15(17)9-14(10-18-16)12(3)13-7-5-4-6-8-13;2*1-11(12-5-3-2-4-6-12)13-7-9-14(10-8-13)19-15(16,17)18;1-12(13-6-4-3-5-7-13)14-8-10-15(16-2)11-9-14;2*1-11(12-7-3-2-4-8-12)13-9-5-6-10-14-13;6*1-3-2/h5-13,17H,1-4H3;4-12H,1-3H3;2*2-11H,1H3;3-12H,1H3;2*2-11H,1H3;6*3H2,1-2H3/t17-;12-;2*11-;12-;2*11-;;;;;;/m1010110....../s1.

What are the key properties of 3-chloro-5-[(1R)-2-methyl-1-phenylpropyl]-2-propan-2-yloxypyridine;3-chloro-5-[(1S)-1-phenylethyl]-2-propan-2-yloxypyridine;1-isocyano-4-[(1R)-1-phenylethyl]benzene;2-[(1S)-1-phenylethyl]pyridine;2-[(1R)-1-phenylethyl]pyridine;1-[(1S)-1-phenylethyl]-4-(trifluoromethoxy)benzene;1-[(1R)-1-phenylethyl]-4-(trifluoromethoxy)benzene;propane?

3-chloro-5-[(1R)-2-methyl-1-phenylpropyl]-2-propan-2-yloxypyridine;3-chloro-5-[(1S)-1-phenylethyl]-2-propan-2-yloxypyridine;1-isocyano-4-[(1R)-1-phenylethyl]benzene;2-[(1S)-1-phenylethyl]pyridine;2-[(1R)-1-phenylethyl]pyridine;1-[(1S)-1-phenylethyl]-4-(trifluoromethoxy)benzene;1-[(1R)-1-phenylethyl]-4-(trifluoromethoxy)benzene;propane has a molecular weight of 1950.50 g/mol, XLogP of 38.81, 21 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-chloro-5-[(1R)-2-methyl-1-phenylpropyl]-2-propan-2-yloxypyridine;3-chloro-5-[(1S)-1-phenylethyl]-2-propan-2-yloxypyridine;1-isocyano-4-[(1R)-1-phenylethyl]benzene;2-[(1S)-1-phenylethyl]pyridine;2-[(1R)-1-phenylethyl]pyridine;1-[(1S)-1-phenylethyl]-4-(trifluoromethoxy)benzene;1-[(1R)-1-phenylethyl]-4-(trifluoromethoxy)benzene;propane is sourced from PubChem (CID 160782764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).