1-cyclopropyl-N-[(4-morpholin-4-ylphenyl)methyl]propan-2-amine

C₁₇H₂₆N₂O — CID 63988276

About 1-cyclopropyl-N-[(4-morpholin-4-ylphenyl)methyl]propan-2-amine

1-cyclopropyl-N-[(4-morpholin-4-ylphenyl)methyl]propan-2-amine (PubChem CID 63988276) has the molecular formula C₁₇H₂₆N₂O and a molecular weight of 274.41 g/mol. Its IUPAC name is 1-cyclopropyl-N-[(4-morpholin-4-ylphenyl)methyl]propan-2-amine.

Molecular Properties

• Compound Name: 1-cyclopropyl-N-[(4-morpholin-4-ylphenyl)methyl]propan-2-amine
• PubChem CID: 63988276
• Molecular Formula: C₁₇H₂₆N₂O
• Molecular Weight: 274.41 g/mol
• Exact Mass: 274.20
• IUPAC Name: 1-cyclopropyl-N-[(4-morpholin-4-ylphenyl)methyl]propan-2-amine
• SMILES: CC(CC1CC1)NCc1ccc(N2CCOCC2)cc1
• InChI: InChI=1S/C17H26N2O/c1-14(12-15-2-3-15)18-13-16-4-6-17(7-5-16)19-8-10-20-11-9-19/h4-7,14-15,18H,2-3,8-13H2,1H3
• InChIKey: HLUCDPHCVDSVQB-UHFFFAOYSA-N
• XLogP: 2.80
• TPSA: 24.50 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 20
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	274.41
LogP ≤ 5	2.80
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-[(4-morpholin-4-ylphenyl)methyl]propan-2-amine?

The IUPAC name of 1-cyclopropyl-N-[(4-morpholin-4-ylphenyl)methyl]propan-2-amine (CID 63988276) is 1-cyclopropyl-N-[(4-morpholin-4-ylphenyl)methyl]propan-2-amine.

What is the SMILES notation for 1-cyclopropyl-N-[(4-morpholin-4-ylphenyl)methyl]propan-2-amine?

The canonical SMILES for 1-cyclopropyl-N-[(4-morpholin-4-ylphenyl)methyl]propan-2-amine is CC(CC1CC1)NCc1ccc(N2CCOCC2)cc1.

What is the InChIKey of 1-cyclopropyl-N-[(4-morpholin-4-ylphenyl)methyl]propan-2-amine?

The InChIKey is HLUCDPHCVDSVQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-14(12-15-2-3-15)18-13-16-4-6-17(7-5-16)19-8-10-20-11-9-19/h4-7,14-15,18H,2-3,8-13H2,1H3.

What are the key properties of 1-cyclopropyl-N-[(4-morpholin-4-ylphenyl)methyl]propan-2-amine?

1-cyclopropyl-N-[(4-morpholin-4-ylphenyl)methyl]propan-2-amine has a molecular weight of 274.41 g/mol, XLogP of 2.80, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 1-cyclopropyl-N-[(4-morpholin-4-ylphenyl)methyl]propan-2-amine is sourced from PubChem (CID 63988276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 63988276 — identifiers, structure, computed properties (public domain)

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