2-[1-[(4-aminocyclohexyl)amino]cyclopropyl]phenol

C₁₅H₂₂N₂O — CID 152659817

About 2-[1-[(4-aminocyclohexyl)amino]cyclopropyl]phenol

2-[1-[(4-aminocyclohexyl)amino]cyclopropyl]phenol (PubChem CID 152659817) has the molecular formula C₁₅H₂₂N₂O and a molecular weight of 246.35 g/mol. Its IUPAC name is 2-[1-[(4-aminocyclohexyl)amino]cyclopropyl]phenol.

Molecular Properties

• Compound Name: 2-[1-[(4-aminocyclohexyl)amino]cyclopropyl]phenol
• PubChem CID: 152659817
• Molecular Formula: C₁₅H₂₂N₂O
• Molecular Weight: 246.35 g/mol
• Exact Mass: 246.17
• IUPAC Name: 2-[1-[(4-aminocyclohexyl)amino]cyclopropyl]phenol
• SMILES: NC1CCC(NC2(c3ccccc3O)CC2)CC1
• InChI: InChI=1S/C15H22N2O/c16-11-5-7-12(8-6-11)17-15(9-10-15)13-3-1-2-4-14(13)18/h1-4,11-12,17-18H,5-10,16H2
• InChIKey: ZJHVQOJDPFLLIM-UHFFFAOYSA-N
• XLogP: 2.24
• TPSA: 58.28 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 18
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	246.35
LogP ≤ 5	2.24
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(4-aminocyclohexyl)amino]cyclopropyl]phenol?

The IUPAC name of 2-[1-[(4-aminocyclohexyl)amino]cyclopropyl]phenol (CID 152659817) is 2-[1-[(4-aminocyclohexyl)amino]cyclopropyl]phenol.

What is the SMILES notation for 2-[1-[(4-aminocyclohexyl)amino]cyclopropyl]phenol?

The canonical SMILES for 2-[1-[(4-aminocyclohexyl)amino]cyclopropyl]phenol is NC1CCC(NC2(c3ccccc3O)CC2)CC1.

What is the InChIKey of 2-[1-[(4-aminocyclohexyl)amino]cyclopropyl]phenol?

The InChIKey is ZJHVQOJDPFLLIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c16-11-5-7-12(8-6-11)17-15(9-10-15)13-3-1-2-4-14(13)18/h1-4,11-12,17-18H,5-10,16H2.

What are the key properties of 2-[1-[(4-aminocyclohexyl)amino]cyclopropyl]phenol?

2-[1-[(4-aminocyclohexyl)amino]cyclopropyl]phenol has a molecular weight of 246.35 g/mol, XLogP of 2.24, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1-[(4-aminocyclohexyl)amino]cyclopropyl]phenol is sourced from PubChem (CID 152659817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 152659817 — identifiers, structure, computed properties (public domain)

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