N,N-dimethyl-2-(4-phenoxyphenoxy)ethanamine

C16H19NO2 — CID 87057595

IUPACN,N-dimethyl-2-(4-phenoxyphenoxy)ethanamine
SMILESCN(C)CCOc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C16H19NO2/c1-17(2)12-13-18-14-8-10-16(11-9-14)19-15-6-4-3-5-7-15/h3-11H,12-13H2,1-2H3
InChIKeyINAQPAUETXGHJF-UHFFFAOYSA-N
MW257.33 g/mol
LogP3.42
Rot. Bonds6

About N,N-dimethyl-2-(4-phenoxyphenoxy)ethanamine

N,N-dimethyl-2-(4-phenoxyphenoxy)ethanamine (PubChem CID 87057595) has the molecular formula C16H19NO2 and a molecular weight of 257.33 g/mol. Its IUPAC name is N,N-dimethyl-2-(4-phenoxyphenoxy)ethanamine.

Molecular Properties

Compound NameN,N-dimethyl-2-(4-phenoxyphenoxy)ethanamine
PubChem CID87057595
Molecular FormulaC16H19NO2
Molecular Weight257.33 g/mol
Exact Mass257.14
IUPAC NameN,N-dimethyl-2-(4-phenoxyphenoxy)ethanamine
SMILESCN(C)CCOc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C16H19NO2/c1-17(2)12-13-18-14-8-10-16(11-9-14)19-15-6-4-3-5-7-15/h3-11H,12-13H2,1-2H3
InChIKeyINAQPAUETXGHJF-UHFFFAOYSA-N
XLogP3.42
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-(4-phenoxyphenoxy)ethanamine?
The IUPAC name of N,N-dimethyl-2-(4-phenoxyphenoxy)ethanamine (CID 87057595) is N,N-dimethyl-2-(4-phenoxyphenoxy)ethanamine.
What is the SMILES notation for N,N-dimethyl-2-(4-phenoxyphenoxy)ethanamine?
The canonical SMILES for N,N-dimethyl-2-(4-phenoxyphenoxy)ethanamine is CN(C)CCOc1ccc(Oc2ccccc2)cc1.
What is the InChIKey of N,N-dimethyl-2-(4-phenoxyphenoxy)ethanamine?
The InChIKey is INAQPAUETXGHJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2/c1-17(2)12-13-18-14-8-10-16(11-9-14)19-15-6-4-3-5-7-15/h3-11H,12-13H2,1-2H3.
What are the key properties of N,N-dimethyl-2-(4-phenoxyphenoxy)ethanamine?
N,N-dimethyl-2-(4-phenoxyphenoxy)ethanamine has a molecular weight of 257.33 g/mol, XLogP of 3.42, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-(4-phenoxyphenoxy)ethanamine is sourced from PubChem (CID 87057595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).