3-(3,5-dimethylphenoxy)-N,N-diethylpropan-1-amine

C15H25NO — CID 2245489

IUPAC3-(3,5-dimethylphenoxy)-N,N-diethylpropan-1-amine
SMILESCCN(CC)CCCOc1cc(C)cc(C)c1
InChIInChI=1S/C15H25NO/c1-5-16(6-2)8-7-9-17-15-11-13(3)10-14(4)12-15/h10-12H,5-9H2,1-4H3
InChIKeyXJYMNJRPFNCESI-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.41
Rot. Bonds7

About 3-(3,5-dimethylphenoxy)-N,N-diethylpropan-1-amine

3-(3,5-dimethylphenoxy)-N,N-diethylpropan-1-amine (PubChem CID 2245489) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 3-(3,5-dimethylphenoxy)-N,N-diethylpropan-1-amine.

Molecular Properties

Compound Name3-(3,5-dimethylphenoxy)-N,N-diethylpropan-1-amine
PubChem CID2245489
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name3-(3,5-dimethylphenoxy)-N,N-diethylpropan-1-amine
SMILESCCN(CC)CCCOc1cc(C)cc(C)c1
InChIInChI=1S/C15H25NO/c1-5-16(6-2)8-7-9-17-15-11-13(3)10-14(4)12-15/h10-12H,5-9H2,1-4H3
InChIKeyXJYMNJRPFNCESI-UHFFFAOYSA-N
XLogP3.41
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethylphenoxy)-N,N-diethylpropan-1-amine?
The IUPAC name of 3-(3,5-dimethylphenoxy)-N,N-diethylpropan-1-amine (CID 2245489) is 3-(3,5-dimethylphenoxy)-N,N-diethylpropan-1-amine.
What is the SMILES notation for 3-(3,5-dimethylphenoxy)-N,N-diethylpropan-1-amine?
The canonical SMILES for 3-(3,5-dimethylphenoxy)-N,N-diethylpropan-1-amine is CCN(CC)CCCOc1cc(C)cc(C)c1.
What is the InChIKey of 3-(3,5-dimethylphenoxy)-N,N-diethylpropan-1-amine?
The InChIKey is XJYMNJRPFNCESI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-5-16(6-2)8-7-9-17-15-11-13(3)10-14(4)12-15/h10-12H,5-9H2,1-4H3.
What are the key properties of 3-(3,5-dimethylphenoxy)-N,N-diethylpropan-1-amine?
3-(3,5-dimethylphenoxy)-N,N-diethylpropan-1-amine has a molecular weight of 235.37 g/mol, XLogP of 3.41, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethylphenoxy)-N,N-diethylpropan-1-amine is sourced from PubChem (CID 2245489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).