5-(2,3-dimethylphenoxy)-1-methylazepan-4-ol

C15H23NO2 — CID 20548921

IUPAC5-(2,3-dimethylphenoxy)-1-methylazepan-4-ol
SMILESCc1cccc(OC2CCN(C)CCC2O)c1C
InChIInChI=1S/C15H23NO2/c1-11-5-4-6-14(12(11)2)18-15-8-10-16(3)9-7-13(15)17/h4-6,13,15,17H,7-10H2,1-3H3
InChIKeyKPILVBZGTYPTOB-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.14
Rot. Bonds2

About 5-(2,3-dimethylphenoxy)-1-methylazepan-4-ol

5-(2,3-dimethylphenoxy)-1-methylazepan-4-ol (PubChem CID 20548921) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 5-(2,3-dimethylphenoxy)-1-methylazepan-4-ol.

Molecular Properties

Compound Name5-(2,3-dimethylphenoxy)-1-methylazepan-4-ol
PubChem CID20548921
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name5-(2,3-dimethylphenoxy)-1-methylazepan-4-ol
SMILESCc1cccc(OC2CCN(C)CCC2O)c1C
InChIInChI=1S/C15H23NO2/c1-11-5-4-6-14(12(11)2)18-15-8-10-16(3)9-7-13(15)17/h4-6,13,15,17H,7-10H2,1-3H3
InChIKeyKPILVBZGTYPTOB-UHFFFAOYSA-N
XLogP2.14
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dimethylphenoxy)-1-methylazepan-4-ol?
The IUPAC name of 5-(2,3-dimethylphenoxy)-1-methylazepan-4-ol (CID 20548921) is 5-(2,3-dimethylphenoxy)-1-methylazepan-4-ol.
What is the SMILES notation for 5-(2,3-dimethylphenoxy)-1-methylazepan-4-ol?
The canonical SMILES for 5-(2,3-dimethylphenoxy)-1-methylazepan-4-ol is Cc1cccc(OC2CCN(C)CCC2O)c1C.
What is the InChIKey of 5-(2,3-dimethylphenoxy)-1-methylazepan-4-ol?
The InChIKey is KPILVBZGTYPTOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-11-5-4-6-14(12(11)2)18-15-8-10-16(3)9-7-13(15)17/h4-6,13,15,17H,7-10H2,1-3H3.
What are the key properties of 5-(2,3-dimethylphenoxy)-1-methylazepan-4-ol?
5-(2,3-dimethylphenoxy)-1-methylazepan-4-ol has a molecular weight of 249.35 g/mol, XLogP of 2.14, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dimethylphenoxy)-1-methylazepan-4-ol is sourced from PubChem (CID 20548921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).