1-amino-4-methyl-1-phenoxypentan-2-ol

C12H19NO2 — CID 20505639

IUPAC1-amino-4-methyl-1-phenoxypentan-2-ol
SMILESCC(C)CC(O)C(N)Oc1ccccc1
InChIInChI=1S/C12H19NO2/c1-9(2)8-11(14)12(13)15-10-6-4-3-5-7-10/h3-7,9,11-12,14H,8,13H2,1-2H3
InChIKeyRENMARKDOOTYKI-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.76
Rot. Bonds5

About 1-amino-4-methyl-1-phenoxypentan-2-ol

1-amino-4-methyl-1-phenoxypentan-2-ol (PubChem CID 20505639) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is 1-amino-4-methyl-1-phenoxypentan-2-ol.

Molecular Properties

Compound Name1-amino-4-methyl-1-phenoxypentan-2-ol
PubChem CID20505639
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name1-amino-4-methyl-1-phenoxypentan-2-ol
SMILESCC(C)CC(O)C(N)Oc1ccccc1
InChIInChI=1S/C12H19NO2/c1-9(2)8-11(14)12(13)15-10-6-4-3-5-7-10/h3-7,9,11-12,14H,8,13H2,1-2H3
InChIKeyRENMARKDOOTYKI-UHFFFAOYSA-N
XLogP1.76
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-amino-4-methyl-1-phenoxypentan-2-ol?
The IUPAC name of 1-amino-4-methyl-1-phenoxypentan-2-ol (CID 20505639) is 1-amino-4-methyl-1-phenoxypentan-2-ol.
What is the SMILES notation for 1-amino-4-methyl-1-phenoxypentan-2-ol?
The canonical SMILES for 1-amino-4-methyl-1-phenoxypentan-2-ol is CC(C)CC(O)C(N)Oc1ccccc1.
What is the InChIKey of 1-amino-4-methyl-1-phenoxypentan-2-ol?
The InChIKey is RENMARKDOOTYKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c1-9(2)8-11(14)12(13)15-10-6-4-3-5-7-10/h3-7,9,11-12,14H,8,13H2,1-2H3.
What are the key properties of 1-amino-4-methyl-1-phenoxypentan-2-ol?
1-amino-4-methyl-1-phenoxypentan-2-ol has a molecular weight of 209.29 g/mol, XLogP of 1.76, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-4-methyl-1-phenoxypentan-2-ol is sourced from PubChem (CID 20505639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).