3-[2-[2-(2-ethoxyphenyl)ethyl]phenoxy]-N,N-dimethylpropan-1-amine

C21H29NO2 — CID 20545015

IUPAC3-[2-[2-(2-ethoxyphenyl)ethyl]phenoxy]-N,N-dimethylpropan-1-amine
SMILESCCOc1ccccc1CCc1ccccc1OCCCN(C)C
InChIInChI=1S/C21H29NO2/c1-4-23-20-12-7-5-10-18(20)14-15-19-11-6-8-13-21(19)24-17-9-16-22(2)3/h5-8,10-13H,4,9,14-17H2,1-3H3
InChIKeyVZDOXBQTOSYOOE-UHFFFAOYSA-N
MW327.47 g/mol
LogP4.20
Rot. Bonds10

About 3-[2-[2-(2-ethoxyphenyl)ethyl]phenoxy]-N,N-dimethylpropan-1-amine

3-[2-[2-(2-ethoxyphenyl)ethyl]phenoxy]-N,N-dimethylpropan-1-amine (PubChem CID 20545015) has the molecular formula C21H29NO2 and a molecular weight of 327.47 g/mol. Its IUPAC name is 3-[2-[2-(2-ethoxyphenyl)ethyl]phenoxy]-N,N-dimethylpropan-1-amine.

Molecular Properties

Compound Name3-[2-[2-(2-ethoxyphenyl)ethyl]phenoxy]-N,N-dimethylpropan-1-amine
PubChem CID20545015
Molecular FormulaC21H29NO2
Molecular Weight327.47 g/mol
Exact Mass327.22
IUPAC Name3-[2-[2-(2-ethoxyphenyl)ethyl]phenoxy]-N,N-dimethylpropan-1-amine
SMILESCCOc1ccccc1CCc1ccccc1OCCCN(C)C
InChIInChI=1S/C21H29NO2/c1-4-23-20-12-7-5-10-18(20)14-15-19-11-6-8-13-21(19)24-17-9-16-22(2)3/h5-8,10-13H,4,9,14-17H2,1-3H3
InChIKeyVZDOXBQTOSYOOE-UHFFFAOYSA-N
XLogP4.20
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.47
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[2-(2-aminoethyl)phenoxy]-N,N-dimethylpropan-1-amine
CID 22683982
4-[2-[2-(2-methoxyphenyl)ethyl]phenoxy]-N,N-dimethylbutan-1-amine
CID 3055328
N,N-dimethyl-4-[2-(2-phenylethyl)phenoxy]butan-1-amine
CID 3055351
3-[2-[2-(dimethylamino)ethoxy]phenyl]propan-1-amine
CID 170879208
1-ethoxy-2-[2-[2-(2-ethoxyphenyl)ethoxy]ethyl]benzene
CID 141096945
N,N-dimethyl-3-(2-prop-2-enylphenoxy)propan-1-amine
CID 2184313
4-[2-[2-(2,4-dichlorophenyl)ethyl]phenoxy]-N,N-dimethylbutan-1-amine
CID 20545010
1-decyl-2-ethoxybenzene
CID 175243335
1-(3-bromopropyl)-2-ethoxybenzene
CID 18786539
N,N-dimethyl-3-[2-(2-pyrrolidin-1-ylethoxy)phenyl]propan-1-amine
CID 170866493
2-[2-[2-(3-chlorophenyl)ethyl]phenoxy]-N,N-dimethylethanamine
CID 11197455
2-(2-ethoxyphenyl)ethyl propanoate
CID 174910782

Frequently Asked Questions

What is the IUPAC name of 3-[2-[2-(2-ethoxyphenyl)ethyl]phenoxy]-N,N-dimethylpropan-1-amine?
The IUPAC name of 3-[2-[2-(2-ethoxyphenyl)ethyl]phenoxy]-N,N-dimethylpropan-1-amine (CID 20545015) is 3-[2-[2-(2-ethoxyphenyl)ethyl]phenoxy]-N,N-dimethylpropan-1-amine.
What is the SMILES notation for 3-[2-[2-(2-ethoxyphenyl)ethyl]phenoxy]-N,N-dimethylpropan-1-amine?
The canonical SMILES for 3-[2-[2-(2-ethoxyphenyl)ethyl]phenoxy]-N,N-dimethylpropan-1-amine is CCOc1ccccc1CCc1ccccc1OCCCN(C)C.
What is the InChIKey of 3-[2-[2-(2-ethoxyphenyl)ethyl]phenoxy]-N,N-dimethylpropan-1-amine?
The InChIKey is VZDOXBQTOSYOOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29NO2/c1-4-23-20-12-7-5-10-18(20)14-15-19-11-6-8-13-21(19)24-17-9-16-22(2)3/h5-8,10-13H,4,9,14-17H2,1-3H3.
What are the key properties of 3-[2-[2-(2-ethoxyphenyl)ethyl]phenoxy]-N,N-dimethylpropan-1-amine?
3-[2-[2-(2-ethoxyphenyl)ethyl]phenoxy]-N,N-dimethylpropan-1-amine has a molecular weight of 327.47 g/mol, XLogP of 4.20, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2-(2-ethoxyphenyl)ethyl]phenoxy]-N,N-dimethylpropan-1-amine is sourced from PubChem (CID 20545015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).