2-(2-benzylphenoxy)-N,N-dimethylethanamine

C17H21NO — CID 7077

IUPAC2-(2-benzylphenoxy)-N,N-dimethylethanamine
SMILESCN(C)CCOc1ccccc1Cc1ccccc1
InChIInChI=1S/C17H21NO/c1-18(2)12-13-19-17-11-7-6-10-16(17)14-15-8-4-3-5-9-15/h3-11H,12-14H2,1-2H3
InChIKeyIZRPKIZLIFYYKR-UHFFFAOYSA-N
MW255.36 g/mol
LogP3.22
Rot. Bonds6

About 2-(2-benzylphenoxy)-N,N-dimethylethanamine

2-(2-benzylphenoxy)-N,N-dimethylethanamine (PubChem CID 7077) has the molecular formula C17H21NO and a molecular weight of 255.36 g/mol. Its IUPAC name is 2-(2-benzylphenoxy)-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-(2-benzylphenoxy)-N,N-dimethylethanamine
PubChem CID7077
Molecular FormulaC17H21NO
Molecular Weight255.36 g/mol
Exact Mass255.16
IUPAC Name2-(2-benzylphenoxy)-N,N-dimethylethanamine
SMILESCN(C)CCOc1ccccc1Cc1ccccc1
InChIInChI=1S/C17H21NO/c1-18(2)12-13-19-17-11-7-6-10-16(17)14-15-8-4-3-5-9-15/h3-11H,12-14H2,1-2H3
InChIKeyIZRPKIZLIFYYKR-UHFFFAOYSA-N
XLogP3.22
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-benzylphenoxy)-N,N-dimethylethanamine?
The IUPAC name of 2-(2-benzylphenoxy)-N,N-dimethylethanamine (CID 7077) is 2-(2-benzylphenoxy)-N,N-dimethylethanamine.
What is the SMILES notation for 2-(2-benzylphenoxy)-N,N-dimethylethanamine?
The canonical SMILES for 2-(2-benzylphenoxy)-N,N-dimethylethanamine is CN(C)CCOc1ccccc1Cc1ccccc1.
What is the InChIKey of 2-(2-benzylphenoxy)-N,N-dimethylethanamine?
The InChIKey is IZRPKIZLIFYYKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO/c1-18(2)12-13-19-17-11-7-6-10-16(17)14-15-8-4-3-5-9-15/h3-11H,12-14H2,1-2H3.
What are the key properties of 2-(2-benzylphenoxy)-N,N-dimethylethanamine?
2-(2-benzylphenoxy)-N,N-dimethylethanamine has a molecular weight of 255.36 g/mol, XLogP of 3.22, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-benzylphenoxy)-N,N-dimethylethanamine is sourced from PubChem (CID 7077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).