2-[3-[2-[3-[2-(dimethylamino)ethoxy]phenyl]ethyl]phenoxy]-N,N-dimethylethanamine

C22H32N2O2 — CID 171715455

IUPAC2-[3-[2-[3-[2-(dimethylamino)ethoxy]phenyl]ethyl]phenoxy]-N,N-dimethylethanamine
SMILESCN(C)CCOc1cccc(CCc2cccc(OCCN(C)C)c2)c1
InChIInChI=1S/C22H32N2O2/c1-23(2)13-15-25-21-9-5-7-19(17-21)11-12-20-8-6-10-22(18-20)26-16-14-24(3)4/h5-10,17-18H,11-16H2,1-4H3
InChIKeyFYOWRMVFGWXYKV-UHFFFAOYSA-N
MW356.51 g/mol
LogP3.35
Rot. Bonds11

About 2-[3-[2-[3-[2-(dimethylamino)ethoxy]phenyl]ethyl]phenoxy]-N,N-dimethylethanamine

2-[3-[2-[3-[2-(dimethylamino)ethoxy]phenyl]ethyl]phenoxy]-N,N-dimethylethanamine (PubChem CID 171715455) has the molecular formula C22H32N2O2 and a molecular weight of 356.51 g/mol. Its IUPAC name is 2-[3-[2-[3-[2-(dimethylamino)ethoxy]phenyl]ethyl]phenoxy]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[3-[2-[3-[2-(dimethylamino)ethoxy]phenyl]ethyl]phenoxy]-N,N-dimethylethanamine
PubChem CID171715455
Molecular FormulaC22H32N2O2
Molecular Weight356.51 g/mol
Exact Mass356.25
IUPAC Name2-[3-[2-[3-[2-(dimethylamino)ethoxy]phenyl]ethyl]phenoxy]-N,N-dimethylethanamine
SMILESCN(C)CCOc1cccc(CCc2cccc(OCCN(C)C)c2)c1
InChIInChI=1S/C22H32N2O2/c1-23(2)13-15-25-21-9-5-7-19(17-21)11-12-20-8-6-10-22(18-20)26-16-14-24(3)4/h5-10,17-18H,11-16H2,1-4H3
InChIKeyFYOWRMVFGWXYKV-UHFFFAOYSA-N
XLogP3.35
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.51
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[3-[2-(dimethylamino)ethoxy]phenyl]-N,N-dimethylpropan-1-amine
CID 170866732
2-[3-[3-(dimethylamino)propyl]phenoxy]ethanol
CID 170866152
2-(3-methoxyphenoxy)-N,N-dimethylethanamine
CID 10081369
3-(3-ethoxyphenyl)-N,N-dimethylpropan-1-amine
CID 170865322
N,N-dimethyl-2-(3-phenylphenoxy)ethanamine
CID 14105422
3-[2-(dimethylamino)ethoxy]aniline;dihydrochloride
CID 66649609
[3-[2-(dimethylamino)ethoxy]phenyl]methylurea
CID 91413450
3-(3-butoxyphenoxy)-N,N-dimethylpropan-1-amine
CID 2993413
N-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]-5-fluoro-N-methylpyrimidin-2-amine
CID 75469574
3-[2-(dimethylamino)ethoxy]-N,N-diethylaniline
CID 141318125
2-[3-(aminomethyl)phenoxy]-N-ethyl-N-methylethanamine
CID 43263089
3-(3-tert-butylphenoxy)-N,N-dimethylpropan-1-amine
CID 2994010

Frequently Asked Questions

What is the IUPAC name of 2-[3-[2-[3-[2-(dimethylamino)ethoxy]phenyl]ethyl]phenoxy]-N,N-dimethylethanamine?
The IUPAC name of 2-[3-[2-[3-[2-(dimethylamino)ethoxy]phenyl]ethyl]phenoxy]-N,N-dimethylethanamine (CID 171715455) is 2-[3-[2-[3-[2-(dimethylamino)ethoxy]phenyl]ethyl]phenoxy]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[3-[2-[3-[2-(dimethylamino)ethoxy]phenyl]ethyl]phenoxy]-N,N-dimethylethanamine?
The canonical SMILES for 2-[3-[2-[3-[2-(dimethylamino)ethoxy]phenyl]ethyl]phenoxy]-N,N-dimethylethanamine is CN(C)CCOc1cccc(CCc2cccc(OCCN(C)C)c2)c1.
What is the InChIKey of 2-[3-[2-[3-[2-(dimethylamino)ethoxy]phenyl]ethyl]phenoxy]-N,N-dimethylethanamine?
The InChIKey is FYOWRMVFGWXYKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N2O2/c1-23(2)13-15-25-21-9-5-7-19(17-21)11-12-20-8-6-10-22(18-20)26-16-14-24(3)4/h5-10,17-18H,11-16H2,1-4H3.
What are the key properties of 2-[3-[2-[3-[2-(dimethylamino)ethoxy]phenyl]ethyl]phenoxy]-N,N-dimethylethanamine?
2-[3-[2-[3-[2-(dimethylamino)ethoxy]phenyl]ethyl]phenoxy]-N,N-dimethylethanamine has a molecular weight of 356.51 g/mol, XLogP of 3.35, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[2-[3-[2-(dimethylamino)ethoxy]phenyl]ethyl]phenoxy]-N,N-dimethylethanamine is sourced from PubChem (CID 171715455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).