[3-amino-4-[[(1R,2R)-2-methylcyclohexyl]amino]phenyl]-methoxymethanol

C₁₅H₂₄N₂O₂ — CID 126515280

About [3-amino-4-[[(1R,2R)-2-methylcyclohexyl]amino]phenyl]-methoxymethanol

[3-amino-4-[[(1R,2R)-2-methylcyclohexyl]amino]phenyl]-methoxymethanol (PubChem CID 126515280) has the molecular formula C₁₅H₂₄N₂O₂ and a molecular weight of 264.37 g/mol. Its IUPAC name is [3-amino-4-[[(1R,2R)-2-methylcyclohexyl]amino]phenyl]-methoxymethanol.

Molecular Properties

• Compound Name: [3-amino-4-[[(1R,2R)-2-methylcyclohexyl]amino]phenyl]-methoxymethanol
• PubChem CID: 126515280
• Molecular Formula: C₁₅H₂₄N₂O₂
• Molecular Weight: 264.37 g/mol
• Exact Mass: 264.18
• IUPAC Name: [3-amino-4-[[(1R,2R)-2-methylcyclohexyl]amino]phenyl]-methoxymethanol
• SMILES: COC(O)c1ccc(N[C@@H]2CCCC[C@H]2C)c(N)c1
• InChI: InChI=1S/C15H24N2O2/c1-10-5-3-4-6-13(10)17-14-8-7-11(9-12(14)16)15(18)19-2/h7-10,13,15,17-18H,3-6,16H2,1-2H3/t10-,13-,15?/m1/s1
• InChIKey: KRPZOSOFWUYVFL-BAOLWLNASA-N
• XLogP: 2.90
• TPSA: 67.51 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 19
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	264.37
LogP ≤ 5	2.90
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [3-amino-4-[[(1R,2R)-2-methylcyclohexyl]amino]phenyl]-methoxymethanol?

The IUPAC name of [3-amino-4-[[(1R,2R)-2-methylcyclohexyl]amino]phenyl]-methoxymethanol (CID 126515280) is [3-amino-4-[[(1R,2R)-2-methylcyclohexyl]amino]phenyl]-methoxymethanol.

What is the SMILES notation for [3-amino-4-[[(1R,2R)-2-methylcyclohexyl]amino]phenyl]-methoxymethanol?

The canonical SMILES for [3-amino-4-[[(1R,2R)-2-methylcyclohexyl]amino]phenyl]-methoxymethanol is COC(O)c1ccc(N[C@@H]2CCCC[C@H]2C)c(N)c1.

What is the InChIKey of [3-amino-4-[[(1R,2R)-2-methylcyclohexyl]amino]phenyl]-methoxymethanol?

The InChIKey is KRPZOSOFWUYVFL-BAOLWLNASA-N. The full InChI is InChI=1S/C15H24N2O2/c1-10-5-3-4-6-13(10)17-14-8-7-11(9-12(14)16)15(18)19-2/h7-10,13,15,17-18H,3-6,16H2,1-2H3/t10-,13-,15?/m1/s1.

What are the key properties of [3-amino-4-[[(1R,2R)-2-methylcyclohexyl]amino]phenyl]-methoxymethanol?

[3-amino-4-[[(1R,2R)-2-methylcyclohexyl]amino]phenyl]-methoxymethanol has a molecular weight of 264.37 g/mol, XLogP of 2.90, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for [3-amino-4-[[(1R,2R)-2-methylcyclohexyl]amino]phenyl]-methoxymethanol is sourced from PubChem (CID 126515280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 126515280 — identifiers, structure, computed properties (public domain)

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