5-(4-amino-5-methyl-2-propan-2-ylphenoxy)pentan-1-ol

C15H25NO2 — CID 65216687

IUPAC5-(4-amino-5-methyl-2-propan-2-ylphenoxy)pentan-1-ol
SMILESCc1cc(OCCCCCO)c(C(C)C)cc1N
InChIInChI=1S/C15H25NO2/c1-11(2)13-10-14(16)12(3)9-15(13)18-8-6-4-5-7-17/h9-11,17H,4-8,16H2,1-3H3
InChIKeyDNCPILKEILEYPV-UHFFFAOYSA-N
MW251.37 g/mol
LogP3.24
Rot. Bonds7

About 5-(4-amino-5-methyl-2-propan-2-ylphenoxy)pentan-1-ol

5-(4-amino-5-methyl-2-propan-2-ylphenoxy)pentan-1-ol (PubChem CID 65216687) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is 5-(4-amino-5-methyl-2-propan-2-ylphenoxy)pentan-1-ol.

Molecular Properties

Compound Name5-(4-amino-5-methyl-2-propan-2-ylphenoxy)pentan-1-ol
PubChem CID65216687
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name5-(4-amino-5-methyl-2-propan-2-ylphenoxy)pentan-1-ol
SMILESCc1cc(OCCCCCO)c(C(C)C)cc1N
InChIInChI=1S/C15H25NO2/c1-11(2)13-10-14(16)12(3)9-15(13)18-8-6-4-5-7-17/h9-11,17H,4-8,16H2,1-3H3
InChIKeyDNCPILKEILEYPV-UHFFFAOYSA-N
XLogP3.24
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(4-amino-5-methyl-2-propan-2-ylphenoxy)pentan-1-ol?
The IUPAC name of 5-(4-amino-5-methyl-2-propan-2-ylphenoxy)pentan-1-ol (CID 65216687) is 5-(4-amino-5-methyl-2-propan-2-ylphenoxy)pentan-1-ol.
What is the SMILES notation for 5-(4-amino-5-methyl-2-propan-2-ylphenoxy)pentan-1-ol?
The canonical SMILES for 5-(4-amino-5-methyl-2-propan-2-ylphenoxy)pentan-1-ol is Cc1cc(OCCCCCO)c(C(C)C)cc1N.
What is the InChIKey of 5-(4-amino-5-methyl-2-propan-2-ylphenoxy)pentan-1-ol?
The InChIKey is DNCPILKEILEYPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-11(2)13-10-14(16)12(3)9-15(13)18-8-6-4-5-7-17/h9-11,17H,4-8,16H2,1-3H3.
What are the key properties of 5-(4-amino-5-methyl-2-propan-2-ylphenoxy)pentan-1-ol?
5-(4-amino-5-methyl-2-propan-2-ylphenoxy)pentan-1-ol has a molecular weight of 251.37 g/mol, XLogP of 3.24, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-amino-5-methyl-2-propan-2-ylphenoxy)pentan-1-ol is sourced from PubChem (CID 65216687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).