N-cyclobutyl-4-propan-2-ylaniline;N-cyclohexyl-4-propan-2-ylaniline;1-cyclopentyloxy-4-propan-2-ylbenzene;3,3-difluoro-1-[(4-propan-2-ylphenyl)methyl]pyrrolidine;4,4-difluoro-N-(4-propan-2-ylphenyl)piperidin-1-amine;N,N-dimethyl-4-propan-2-ylaniline;N-ethyl-2-methyl-N-[(4-propan-2-ylphenyl)methyl]oxolan-3-amine;3-ethyl-1-(4-propan-2-ylphenyl)pentan-3-ol;N-(oxolan-3-ylmethyl)-4-propan-2-ylaniline

C128H192F4N8O4 — CID 159151355

About N-cyclobutyl-4-propan-2-ylaniline;N-cyclohexyl-4-propan-2-ylaniline;1-cyclopentyloxy-4-propan-2-ylbenzene;3,3-difluoro-1-[(4-propan-2-ylphenyl)methyl]pyrrolidine;4,4-difluoro-N-(4-propan-2-ylphenyl)piperidin-1-amine;N,N-dimethyl-4-propan-2-ylaniline;N-ethyl-2-methyl-N-[(4-propan-2-ylphenyl)methyl]oxolan-3-amine;3-ethyl-1-(4-propan-2-ylphenyl)pentan-3-ol;N-(oxolan-3-ylmethyl)-4-propan-2-ylaniline

N-cyclobutyl-4-propan-2-ylaniline;N-cyclohexyl-4-propan-2-ylaniline;1-cyclopentyloxy-4-propan-2-ylbenzene;3,3-difluoro-1-[(4-propan-2-ylphenyl)methyl]pyrrolidine;4,4-difluoro-N-(4-propan-2-ylphenyl)piperidin-1-amine;N,N-dimethyl-4-propan-2-ylaniline;N-ethyl-2-methyl-N-[(4-propan-2-ylphenyl)methyl]oxolan-3-amine;3-ethyl-1-(4-propan-2-ylphenyl)pentan-3-ol;N-(oxolan-3-ylmethyl)-4-propan-2-ylaniline (PubChem CID 159151355) has the molecular formula C128H192F4N8O4 and a molecular weight of 1982.99 g/mol. Its IUPAC name is N-cyclobutyl-4-propan-2-ylaniline;N-cyclohexyl-4-propan-2-ylaniline;1-cyclopentyloxy-4-propan-2-ylbenzene;3,3-difluoro-1-[(4-propan-2-ylphenyl)methyl]pyrrolidine;4,4-difluoro-N-(4-propan-2-ylphenyl)piperidin-1-amine;N,N-dimethyl-4-propan-2-ylaniline;N-ethyl-2-methyl-N-[(4-propan-2-ylphenyl)methyl]oxolan-3-amine;3-ethyl-1-(4-propan-2-ylphenyl)pentan-3-ol;N-(oxolan-3-ylmethyl)-4-propan-2-ylaniline.

Molecular Properties

• Compound Name: N-cyclobutyl-4-propan-2-ylaniline;N-cyclohexyl-4-propan-2-ylaniline;1-cyclopentyloxy-4-propan-2-ylbenzene;3,3-difluoro-1-[(4-propan-2-ylphenyl)methyl]pyrrolidine;4,4-difluoro-N-(4-propan-2-ylphenyl)piperidin-1-amine;N,N-dimethyl-4-propan-2-ylaniline;N-ethyl-2-methyl-N-[(4-propan-2-ylphenyl)methyl]oxolan-3-amine;3-ethyl-1-(4-propan-2-ylphenyl)pentan-3-ol;N-(oxolan-3-ylmethyl)-4-propan-2-ylaniline
• PubChem CID: 159151355
• Molecular Formula: C128H192F4N8O4
• Molecular Weight: 1982.99 g/mol
• Exact Mass: 1981.50
• IUPAC Name: N-cyclobutyl-4-propan-2-ylaniline;N-cyclohexyl-4-propan-2-ylaniline;1-cyclopentyloxy-4-propan-2-ylbenzene;3,3-difluoro-1-[(4-propan-2-ylphenyl)methyl]pyrrolidine;4,4-difluoro-N-(4-propan-2-ylphenyl)piperidin-1-amine;N,N-dimethyl-4-propan-2-ylaniline;N-ethyl-2-methyl-N-[(4-propan-2-ylphenyl)methyl]oxolan-3-amine;3-ethyl-1-(4-propan-2-ylphenyl)pentan-3-ol;N-(oxolan-3-ylmethyl)-4-propan-2-ylaniline
• SMILES: CC(C)c1ccc(CN2CCC(F)(F)C2)cc1.CC(C)c1ccc(N(C)C)cc1.CC(C)c1ccc(NC2CCC2)cc1.CC(C)c1ccc(NC2CCCCC2)cc1.CC(C)c1ccc(NCC2CCOC2)cc1.CC(C)c1ccc(NN2CCC(F)(F)CC2)cc1.CC(C)c1ccc(OC2CCCC2)cc1.CCC(O)(CC)CCc1ccc(C(C)C)cc1.CCN(Cc1ccc(C(C)C)cc1)C1CCOC1C
• InChI: InChI=1S/C17H27NO.C16H26O.C15H23N.C14H20F2N2.C14H19F2N.C14H21NO.C14H20O.C13H19N.C11H17N/c1-5-18(17-10-11-19-14(17)4)12-15-6-8-16(9-7-15)13(2)3;1-5-16(17,6-2)12-11-14-7-9-15(10-8-14)13(3)4;1-12(2)13-8-10-15(11-9-13)16-14-6-4-3-5-7-14;1-11(2)12-3-5-13(6-4-12)17-18-9-7-14(15,16)8-10-18;1-11(2)13-5-3-12(4-6-13)9-17-8-7-14(15,16)10-17;1-11(2)13-3-5-14(6-4-13)15-9-12-7-8-16-10-12;1-11(2)12-7-9-14(10-8-12)15-13-5-3-4-6-13;1-10(2)11-6-8-13(9-7-11)14-12-4-3-5-12;1-9(2)10-5-7-11(8-6-10)12(3)4/h6-9,13-14,17H,5,10-12H2,1-4H3;7-10,13,17H,5-6,11-12H2,1-4H3;8-12,14,16H,3-7H2,1-2H3;3-6,11,17H,7-10H2,1-2H3;3-6,11H,7-10H2,1-2H3;3-6,11-12,15H,7-10H2,1-2H3;7-11,13H,3-6H2,1-2H3;6-10,12,14H,3-5H2,1-2H3;5-9H,1-4H3
• InChIKey: KJIHYFBESPPXJE-UHFFFAOYSA-N
• XLogP: 34.22
• TPSA: 109.00 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 12
• Rotatable Bonds: 32
• Heavy Atoms: 144
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1982.99
LogP ≤ 5	34.22
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	12

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-cyclobutyl-4-propan-2-ylaniline;N-cyclohexyl-4-propan-2-ylaniline;1-cyclopentyloxy-4-propan-2-ylbenzene;3,3-difluoro-1-[(4-propan-2-ylphenyl)methyl]pyrrolidine;4,4-difluoro-N-(4-propan-2-ylphenyl)piperidin-1-amine;N,N-dimethyl-4-propan-2-ylaniline;N-ethyl-2-methyl-N-[(4-propan-2-ylphenyl)methyl]oxolan-3-amine;3-ethyl-1-(4-propan-2-ylphenyl)pentan-3-ol;N-(oxolan-3-ylmethyl)-4-propan-2-ylaniline?

The IUPAC name of N-cyclobutyl-4-propan-2-ylaniline;N-cyclohexyl-4-propan-2-ylaniline;1-cyclopentyloxy-4-propan-2-ylbenzene;3,3-difluoro-1-[(4-propan-2-ylphenyl)methyl]pyrrolidine;4,4-difluoro-N-(4-propan-2-ylphenyl)piperidin-1-amine;N,N-dimethyl-4-propan-2-ylaniline;N-ethyl-2-methyl-N-[(4-propan-2-ylphenyl)methyl]oxolan-3-amine;3-ethyl-1-(4-propan-2-ylphenyl)pentan-3-ol;N-(oxolan-3-ylmethyl)-4-propan-2-ylaniline (CID 159151355) is N-cyclobutyl-4-propan-2-ylaniline;N-cyclohexyl-4-propan-2-ylaniline;1-cyclopentyloxy-4-propan-2-ylbenzene;3,3-difluoro-1-[(4-propan-2-ylphenyl)methyl]pyrrolidine;4,4-difluoro-N-(4-propan-2-ylphenyl)piperidin-1-amine;N,N-dimethyl-4-propan-2-ylaniline;N-ethyl-2-methyl-N-[(4-propan-2-ylphenyl)methyl]oxolan-3-amine;3-ethyl-1-(4-propan-2-ylphenyl)pentan-3-ol;N-(oxolan-3-ylmethyl)-4-propan-2-ylaniline.

What is the SMILES notation for N-cyclobutyl-4-propan-2-ylaniline;N-cyclohexyl-4-propan-2-ylaniline;1-cyclopentyloxy-4-propan-2-ylbenzene;3,3-difluoro-1-[(4-propan-2-ylphenyl)methyl]pyrrolidine;4,4-difluoro-N-(4-propan-2-ylphenyl)piperidin-1-amine;N,N-dimethyl-4-propan-2-ylaniline;N-ethyl-2-methyl-N-[(4-propan-2-ylphenyl)methyl]oxolan-3-amine;3-ethyl-1-(4-propan-2-ylphenyl)pentan-3-ol;N-(oxolan-3-ylmethyl)-4-propan-2-ylaniline?

The canonical SMILES for N-cyclobutyl-4-propan-2-ylaniline;N-cyclohexyl-4-propan-2-ylaniline;1-cyclopentyloxy-4-propan-2-ylbenzene;3,3-difluoro-1-[(4-propan-2-ylphenyl)methyl]pyrrolidine;4,4-difluoro-N-(4-propan-2-ylphenyl)piperidin-1-amine;N,N-dimethyl-4-propan-2-ylaniline;N-ethyl-2-methyl-N-[(4-propan-2-ylphenyl)methyl]oxolan-3-amine;3-ethyl-1-(4-propan-2-ylphenyl)pentan-3-ol;N-(oxolan-3-ylmethyl)-4-propan-2-ylaniline is CC(C)c1ccc(CN2CCC(F)(F)C2)cc1.CC(C)c1ccc(N(C)C)cc1.CC(C)c1ccc(NC2CCC2)cc1.CC(C)c1ccc(NC2CCCCC2)cc1.CC(C)c1ccc(NCC2CCOC2)cc1.CC(C)c1ccc(NN2CCC(F)(F)CC2)cc1.CC(C)c1ccc(OC2CCCC2)cc1.CCC(O)(CC)CCc1ccc(C(C)C)cc1.CCN(Cc1ccc(C(C)C)cc1)C1CCOC1C.

What is the InChIKey of N-cyclobutyl-4-propan-2-ylaniline;N-cyclohexyl-4-propan-2-ylaniline;1-cyclopentyloxy-4-propan-2-ylbenzene;3,3-difluoro-1-[(4-propan-2-ylphenyl)methyl]pyrrolidine;4,4-difluoro-N-(4-propan-2-ylphenyl)piperidin-1-amine;N,N-dimethyl-4-propan-2-ylaniline;N-ethyl-2-methyl-N-[(4-propan-2-ylphenyl)methyl]oxolan-3-amine;3-ethyl-1-(4-propan-2-ylphenyl)pentan-3-ol;N-(oxolan-3-ylmethyl)-4-propan-2-ylaniline?

The InChIKey is KJIHYFBESPPXJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO.C16H26O.C15H23N.C14H20F2N2.C14H19F2N.C14H21NO.C14H20O.C13H19N.C11H17N/c1-5-18(17-10-11-19-14(17)4)12-15-6-8-16(9-7-15)13(2)3;1-5-16(17,6-2)12-11-14-7-9-15(10-8-14)13(3)4;1-12(2)13-8-10-15(11-9-13)16-14-6-4-3-5-7-14;1-11(2)12-3-5-13(6-4-12)17-18-9-7-14(15,16)8-10-18;1-11(2)13-5-3-12(4-6-13)9-17-8-7-14(15,16)10-17;1-11(2)13-3-5-14(6-4-13)15-9-12-7-8-16-10-12;1-11(2)12-7-9-14(10-8-12)15-13-5-3-4-6-13;1-10(2)11-6-8-13(9-7-11)14-12-4-3-5-12;1-9(2)10-5-7-11(8-6-10)12(3)4/h6-9,13-14,17H,5,10-12H2,1-4H3;7-10,13,17H,5-6,11-12H2,1-4H3;8-12,14,16H,3-7H2,1-2H3;3-6,11,17H,7-10H2,1-2H3;3-6,11H,7-10H2,1-2H3;3-6,11-12,15H,7-10H2,1-2H3;7-11,13H,3-6H2,1-2H3;6-10,12,14H,3-5H2,1-2H3;5-9H,1-4H3.

What are the key properties of N-cyclobutyl-4-propan-2-ylaniline;N-cyclohexyl-4-propan-2-ylaniline;1-cyclopentyloxy-4-propan-2-ylbenzene;3,3-difluoro-1-[(4-propan-2-ylphenyl)methyl]pyrrolidine;4,4-difluoro-N-(4-propan-2-ylphenyl)piperidin-1-amine;N,N-dimethyl-4-propan-2-ylaniline;N-ethyl-2-methyl-N-[(4-propan-2-ylphenyl)methyl]oxolan-3-amine;3-ethyl-1-(4-propan-2-ylphenyl)pentan-3-ol;N-(oxolan-3-ylmethyl)-4-propan-2-ylaniline?

N-cyclobutyl-4-propan-2-ylaniline;N-cyclohexyl-4-propan-2-ylaniline;1-cyclopentyloxy-4-propan-2-ylbenzene;3,3-difluoro-1-[(4-propan-2-ylphenyl)methyl]pyrrolidine;4,4-difluoro-N-(4-propan-2-ylphenyl)piperidin-1-amine;N,N-dimethyl-4-propan-2-ylaniline;N-ethyl-2-methyl-N-[(4-propan-2-ylphenyl)methyl]oxolan-3-amine;3-ethyl-1-(4-propan-2-ylphenyl)pentan-3-ol;N-(oxolan-3-ylmethyl)-4-propan-2-ylaniline has a molecular weight of 1982.99 g/mol, XLogP of 34.22, 32 rotatable bonds, 5 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclobutyl-4-propan-2-ylaniline;N-cyclohexyl-4-propan-2-ylaniline;1-cyclopentyloxy-4-propan-2-ylbenzene;3,3-difluoro-1-[(4-propan-2-ylphenyl)methyl]pyrrolidine;4,4-difluoro-N-(4-propan-2-ylphenyl)piperidin-1-amine;N,N-dimethyl-4-propan-2-ylaniline;N-ethyl-2-methyl-N-[(4-propan-2-ylphenyl)methyl]oxolan-3-amine;3-ethyl-1-(4-propan-2-ylphenyl)pentan-3-ol;N-(oxolan-3-ylmethyl)-4-propan-2-ylaniline is sourced from PubChem (CID 159151355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).