2-(4-ethyl-3-methylphenoxy)-N,N-dimethylethanamine

C13H21NO — CID 163472505

IUPAC2-(4-ethyl-3-methylphenoxy)-N,N-dimethylethanamine
SMILESCCc1ccc(OCCN(C)C)cc1C
InChIInChI=1S/C13H21NO/c1-5-12-6-7-13(10-11(12)2)15-9-8-14(3)4/h6-7,10H,5,8-9H2,1-4H3
InChIKeyBXRIEERPTZBSIG-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.50
Rot. Bonds5

About 2-(4-ethyl-3-methylphenoxy)-N,N-dimethylethanamine

2-(4-ethyl-3-methylphenoxy)-N,N-dimethylethanamine (PubChem CID 163472505) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 2-(4-ethyl-3-methylphenoxy)-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-(4-ethyl-3-methylphenoxy)-N,N-dimethylethanamine
PubChem CID163472505
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name2-(4-ethyl-3-methylphenoxy)-N,N-dimethylethanamine
SMILESCCc1ccc(OCCN(C)C)cc1C
InChIInChI=1S/C13H21NO/c1-5-12-6-7-13(10-11(12)2)15-9-8-14(3)4/h6-7,10H,5,8-9H2,1-4H3
InChIKeyBXRIEERPTZBSIG-UHFFFAOYSA-N
XLogP2.50
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethyl-3-methylphenoxy)-N,N-dimethylethanamine?
The IUPAC name of 2-(4-ethyl-3-methylphenoxy)-N,N-dimethylethanamine (CID 163472505) is 2-(4-ethyl-3-methylphenoxy)-N,N-dimethylethanamine.
What is the SMILES notation for 2-(4-ethyl-3-methylphenoxy)-N,N-dimethylethanamine?
The canonical SMILES for 2-(4-ethyl-3-methylphenoxy)-N,N-dimethylethanamine is CCc1ccc(OCCN(C)C)cc1C.
What is the InChIKey of 2-(4-ethyl-3-methylphenoxy)-N,N-dimethylethanamine?
The InChIKey is BXRIEERPTZBSIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-5-12-6-7-13(10-11(12)2)15-9-8-14(3)4/h6-7,10H,5,8-9H2,1-4H3.
What are the key properties of 2-(4-ethyl-3-methylphenoxy)-N,N-dimethylethanamine?
2-(4-ethyl-3-methylphenoxy)-N,N-dimethylethanamine has a molecular weight of 207.32 g/mol, XLogP of 2.50, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethyl-3-methylphenoxy)-N,N-dimethylethanamine is sourced from PubChem (CID 163472505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).