N-(2-methoxyethyl)-2-[1-(4-methylphenyl)cyclobutyl]ethanamine;2-[methyl-[2-[1-(4-methylphenyl)cyclobutyl]ethyl]amino]acetamide;2-[methyl-[2-[1-(4-methylphenyl)cyclobutyl]ethyl]amino]ethanol;N-[2-[1-(4-methylphenyl)cyclobutyl]ethyl]acetamide;2-[2-[1-(4-methylphenyl)cyclobutyl]ethylamino]ethanol;4-[2-[1-(4-methylphenyl)cyclobutyl]ethyl]morpholine;(3S)-1-[2-[1-(4-methylphenyl)cyclobutyl]ethyl]pyrrolidin-3-ol

C112H168N8O7 — CID 158379554

About N-(2-methoxyethyl)-2-[1-(4-methylphenyl)cyclobutyl]ethanamine;2-[methyl-[2-[1-(4-methylphenyl)cyclobutyl]ethyl]amino]acetamide;2-[methyl-[2-[1-(4-methylphenyl)cyclobutyl]ethyl]amino]ethanol;N-[2-[1-(4-methylphenyl)cyclobutyl]ethyl]acetamide;2-[2-[1-(4-methylphenyl)cyclobutyl]ethylamino]ethanol;4-[2-[1-(4-methylphenyl)cyclobutyl]ethyl]morpholine;(3S)-1-[2-[1-(4-methylphenyl)cyclobutyl]ethyl]pyrrolidin-3-ol

N-(2-methoxyethyl)-2-[1-(4-methylphenyl)cyclobutyl]ethanamine;2-[methyl-[2-[1-(4-methylphenyl)cyclobutyl]ethyl]amino]acetamide;2-[methyl-[2-[1-(4-methylphenyl)cyclobutyl]ethyl]amino]ethanol;N-[2-[1-(4-methylphenyl)cyclobutyl]ethyl]acetamide;2-[2-[1-(4-methylphenyl)cyclobutyl]ethylamino]ethanol;4-[2-[1-(4-methylphenyl)cyclobutyl]ethyl]morpholine;(3S)-1-[2-[1-(4-methylphenyl)cyclobutyl]ethyl]pyrrolidin-3-ol (PubChem CID 158379554) has the molecular formula C112H168N8O7 and a molecular weight of 1738.62 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-[1-(4-methylphenyl)cyclobutyl]ethanamine;2-[methyl-[2-[1-(4-methylphenyl)cyclobutyl]ethyl]amino]acetamide;2-[methyl-[2-[1-(4-methylphenyl)cyclobutyl]ethyl]amino]ethanol;N-[2-[1-(4-methylphenyl)cyclobutyl]ethyl]acetamide;2-[2-[1-(4-methylphenyl)cyclobutyl]ethylamino]ethanol;4-[2-[1-(4-methylphenyl)cyclobutyl]ethyl]morpholine;(3S)-1-[2-[1-(4-methylphenyl)cyclobutyl]ethyl]pyrrolidin-3-ol.

Molecular Properties

• Compound Name: N-(2-methoxyethyl)-2-[1-(4-methylphenyl)cyclobutyl]ethanamine;2-[methyl-[2-[1-(4-methylphenyl)cyclobutyl]ethyl]amino]acetamide;2-[methyl-[2-[1-(4-methylphenyl)cyclobutyl]ethyl]amino]ethanol;N-[2-[1-(4-methylphenyl)cyclobutyl]ethyl]acetamide;2-[2-[1-(4-methylphenyl)cyclobutyl]ethylamino]ethanol;4-[2-[1-(4-methylphenyl)cyclobutyl]ethyl]morpholine;(3S)-1-[2-[1-(4-methylphenyl)cyclobutyl]ethyl]pyrrolidin-3-ol
• PubChem CID: 158379554
• Molecular Formula: C112H168N8O7
• Molecular Weight: 1738.62 g/mol
• Exact Mass: 1737.30
• IUPAC Name: N-(2-methoxyethyl)-2-[1-(4-methylphenyl)cyclobutyl]ethanamine;2-[methyl-[2-[1-(4-methylphenyl)cyclobutyl]ethyl]amino]acetamide;2-[methyl-[2-[1-(4-methylphenyl)cyclobutyl]ethyl]amino]ethanol;N-[2-[1-(4-methylphenyl)cyclobutyl]ethyl]acetamide;2-[2-[1-(4-methylphenyl)cyclobutyl]ethylamino]ethanol;4-[2-[1-(4-methylphenyl)cyclobutyl]ethyl]morpholine;(3S)-1-[2-[1-(4-methylphenyl)cyclobutyl]ethyl]pyrrolidin-3-ol
• SMILES: CC(=O)NCCC1(c2ccc(C)cc2)CCC1.COCCNCCC1(c2ccc(C)cc2)CCC1.Cc1ccc(C2(CCN(C)CC(N)=O)CCC2)cc1.Cc1ccc(C2(CCN(C)CCO)CCC2)cc1.Cc1ccc(C2(CCN3CCOCC3)CCC2)cc1.Cc1ccc(C2(CCN3CC[C@H](O)C3)CCC2)cc1.Cc1ccc(C2(CCNCCO)CCC2)cc1
• InChI: InChI=1S/2C17H25NO.C16H24N2O.2C16H25NO.C15H21NO.C15H23NO/c1-14-3-5-15(6-4-14)17(8-2-9-17)10-12-18-11-7-16(19)13-18;1-15-3-5-16(6-4-15)17(7-2-8-17)9-10-18-11-13-19-14-12-18;1-13-4-6-14(7-5-13)16(8-3-9-16)10-11-18(2)12-15(17)19;1-14-4-6-15(7-5-14)16(8-3-9-16)10-11-17-12-13-18-2;1-14-4-6-15(7-5-14)16(8-3-9-16)10-11-17(2)12-13-18;1-12-4-6-14(7-5-12)15(8-3-9-15)10-11-16-13(2)17;1-13-3-5-14(6-4-13)15(7-2-8-15)9-10-16-11-12-17/h3-6,16,19H,2,7-13H2,1H3;3-6H,2,7-14H2,1H3;4-7H,3,8-12H2,1-2H3,(H2,17,19);4-7,17H,3,8-13H2,1-2H3;4-7,18H,3,8-13H2,1-2H3;4-7H,3,8-11H2,1-2H3,(H,16,17);3-6,16-17H,2,7-12H2,1H3/t16-;;;;;;/m0....../s1
• InChIKey: GVPTYKPQLFRBKQ-JJALFNBNSA-N
• XLogP: 19.34
• TPSA: 188.36 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 13
• Rotatable Bonds: 37
• Heavy Atoms: 127
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1738.62
LogP ≤ 5	19.34
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-2-[1-(4-methylphenyl)cyclobutyl]ethanamine;2-[methyl-[2-[1-(4-methylphenyl)cyclobutyl]ethyl]amino]acetamide;2-[methyl-[2-[1-(4-methylphenyl)cyclobutyl]ethyl]amino]ethanol;N-[2-[1-(4-methylphenyl)cyclobutyl]ethyl]acetamide;2-[2-[1-(4-methylphenyl)cyclobutyl]ethylamino]ethanol;4-[2-[1-(4-methylphenyl)cyclobutyl]ethyl]morpholine;(3S)-1-[2-[1-(4-methylphenyl)cyclobutyl]ethyl]pyrrolidin-3-ol?

The IUPAC name of N-(2-methoxyethyl)-2-[1-(4-methylphenyl)cyclobutyl]ethanamine;2-[methyl-[2-[1-(4-methylphenyl)cyclobutyl]ethyl]amino]acetamide;2-[methyl-[2-[1-(4-methylphenyl)cyclobutyl]ethyl]amino]ethanol;N-[2-[1-(4-methylphenyl)cyclobutyl]ethyl]acetamide;2-[2-[1-(4-methylphenyl)cyclobutyl]ethylamino]ethanol;4-[2-[1-(4-methylphenyl)cyclobutyl]ethyl]morpholine;(3S)-1-[2-[1-(4-methylphenyl)cyclobutyl]ethyl]pyrrolidin-3-ol (CID 158379554) is N-(2-methoxyethyl)-2-[1-(4-methylphenyl)cyclobutyl]ethanamine;2-[methyl-[2-[1-(4-methylphenyl)cyclobutyl]ethyl]amino]acetamide;2-[methyl-[2-[1-(4-methylphenyl)cyclobutyl]ethyl]amino]ethanol;N-[2-[1-(4-methylphenyl)cyclobutyl]ethyl]acetamide;2-[2-[1-(4-methylphenyl)cyclobutyl]ethylamino]ethanol;4-[2-[1-(4-methylphenyl)cyclobutyl]ethyl]morpholine;(3S)-1-[2-[1-(4-methylphenyl)cyclobutyl]ethyl]pyrrolidin-3-ol.

What is the SMILES notation for N-(2-methoxyethyl)-2-[1-(4-methylphenyl)cyclobutyl]ethanamine;2-[methyl-[2-[1-(4-methylphenyl)cyclobutyl]ethyl]amino]acetamide;2-[methyl-[2-[1-(4-methylphenyl)cyclobutyl]ethyl]amino]ethanol;N-[2-[1-(4-methylphenyl)cyclobutyl]ethyl]acetamide;2-[2-[1-(4-methylphenyl)cyclobutyl]ethylamino]ethanol;4-[2-[1-(4-methylphenyl)cyclobutyl]ethyl]morpholine;(3S)-1-[2-[1-(4-methylphenyl)cyclobutyl]ethyl]pyrrolidin-3-ol?

The canonical SMILES for N-(2-methoxyethyl)-2-[1-(4-methylphenyl)cyclobutyl]ethanamine;2-[methyl-[2-[1-(4-methylphenyl)cyclobutyl]ethyl]amino]acetamide;2-[methyl-[2-[1-(4-methylphenyl)cyclobutyl]ethyl]amino]ethanol;N-[2-[1-(4-methylphenyl)cyclobutyl]ethyl]acetamide;2-[2-[1-(4-methylphenyl)cyclobutyl]ethylamino]ethanol;4-[2-[1-(4-methylphenyl)cyclobutyl]ethyl]morpholine;(3S)-1-[2-[1-(4-methylphenyl)cyclobutyl]ethyl]pyrrolidin-3-ol is CC(=O)NCCC1(c2ccc(C)cc2)CCC1.COCCNCCC1(c2ccc(C)cc2)CCC1.Cc1ccc(C2(CCN(C)CC(N)=O)CCC2)cc1.Cc1ccc(C2(CCN(C)CCO)CCC2)cc1.Cc1ccc(C2(CCN3CCOCC3)CCC2)cc1.Cc1ccc(C2(CCN3CC[C@H](O)C3)CCC2)cc1.Cc1ccc(C2(CCNCCO)CCC2)cc1.

What is the InChIKey of N-(2-methoxyethyl)-2-[1-(4-methylphenyl)cyclobutyl]ethanamine;2-[methyl-[2-[1-(4-methylphenyl)cyclobutyl]ethyl]amino]acetamide;2-[methyl-[2-[1-(4-methylphenyl)cyclobutyl]ethyl]amino]ethanol;N-[2-[1-(4-methylphenyl)cyclobutyl]ethyl]acetamide;2-[2-[1-(4-methylphenyl)cyclobutyl]ethylamino]ethanol;4-[2-[1-(4-methylphenyl)cyclobutyl]ethyl]morpholine;(3S)-1-[2-[1-(4-methylphenyl)cyclobutyl]ethyl]pyrrolidin-3-ol?

The InChIKey is GVPTYKPQLFRBKQ-JJALFNBNSA-N. The full InChI is InChI=1S/2C17H25NO.C16H24N2O.2C16H25NO.C15H21NO.C15H23NO/c1-14-3-5-15(6-4-14)17(8-2-9-17)10-12-18-11-7-16(19)13-18;1-15-3-5-16(6-4-15)17(7-2-8-17)9-10-18-11-13-19-14-12-18;1-13-4-6-14(7-5-13)16(8-3-9-16)10-11-18(2)12-15(17)19;1-14-4-6-15(7-5-14)16(8-3-9-16)10-11-17-12-13-18-2;1-14-4-6-15(7-5-14)16(8-3-9-16)10-11-17(2)12-13-18;1-12-4-6-14(7-5-12)15(8-3-9-15)10-11-16-13(2)17;1-13-3-5-14(6-4-13)15(7-2-8-15)9-10-16-11-12-17/h3-6,16,19H,2,7-13H2,1H3;3-6H,2,7-14H2,1H3;4-7H,3,8-12H2,1-2H3,(H2,17,19);4-7,17H,3,8-13H2,1-2H3;4-7,18H,3,8-13H2,1-2H3;4-7H,3,8-11H2,1-2H3,(H,16,17);3-6,16-17H,2,7-12H2,1H3/t16-;;;;;;/m0....../s1.

What are the key properties of N-(2-methoxyethyl)-2-[1-(4-methylphenyl)cyclobutyl]ethanamine;2-[methyl-[2-[1-(4-methylphenyl)cyclobutyl]ethyl]amino]acetamide;2-[methyl-[2-[1-(4-methylphenyl)cyclobutyl]ethyl]amino]ethanol;N-[2-[1-(4-methylphenyl)cyclobutyl]ethyl]acetamide;2-[2-[1-(4-methylphenyl)cyclobutyl]ethylamino]ethanol;4-[2-[1-(4-methylphenyl)cyclobutyl]ethyl]morpholine;(3S)-1-[2-[1-(4-methylphenyl)cyclobutyl]ethyl]pyrrolidin-3-ol?

N-(2-methoxyethyl)-2-[1-(4-methylphenyl)cyclobutyl]ethanamine;2-[methyl-[2-[1-(4-methylphenyl)cyclobutyl]ethyl]amino]acetamide;2-[methyl-[2-[1-(4-methylphenyl)cyclobutyl]ethyl]amino]ethanol;N-[2-[1-(4-methylphenyl)cyclobutyl]ethyl]acetamide;2-[2-[1-(4-methylphenyl)cyclobutyl]ethylamino]ethanol;4-[2-[1-(4-methylphenyl)cyclobutyl]ethyl]morpholine;(3S)-1-[2-[1-(4-methylphenyl)cyclobutyl]ethyl]pyrrolidin-3-ol has a molecular weight of 1738.62 g/mol, XLogP of 19.34, 37 rotatable bonds, 7 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-methoxyethyl)-2-[1-(4-methylphenyl)cyclobutyl]ethanamine;2-[methyl-[2-[1-(4-methylphenyl)cyclobutyl]ethyl]amino]acetamide;2-[methyl-[2-[1-(4-methylphenyl)cyclobutyl]ethyl]amino]ethanol;N-[2-[1-(4-methylphenyl)cyclobutyl]ethyl]acetamide;2-[2-[1-(4-methylphenyl)cyclobutyl]ethylamino]ethanol;4-[2-[1-(4-methylphenyl)cyclobutyl]ethyl]morpholine;(3S)-1-[2-[1-(4-methylphenyl)cyclobutyl]ethyl]pyrrolidin-3-ol is sourced from PubChem (CID 158379554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).