3-[2-(ethylamino)ethoxymethyl]-N,N-dimethylaniline

C13H22N2O — CID 82353951

IUPAC3-[2-(ethylamino)ethoxymethyl]-N,N-dimethylaniline
SMILESCCNCCOCc1cccc(N(C)C)c1
InChIInChI=1S/C13H22N2O/c1-4-14-8-9-16-11-12-6-5-7-13(10-12)15(2)3/h5-7,10,14H,4,8-9,11H2,1-3H3
InChIKeyOLYNHIXCJPASBI-UHFFFAOYSA-N
MW222.33 g/mol
LogP1.88
Rot. Bonds7

About 3-[2-(ethylamino)ethoxymethyl]-N,N-dimethylaniline

3-[2-(ethylamino)ethoxymethyl]-N,N-dimethylaniline (PubChem CID 82353951) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 3-[2-(ethylamino)ethoxymethyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name3-[2-(ethylamino)ethoxymethyl]-N,N-dimethylaniline
PubChem CID82353951
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name3-[2-(ethylamino)ethoxymethyl]-N,N-dimethylaniline
SMILESCCNCCOCc1cccc(N(C)C)c1
InChIInChI=1S/C13H22N2O/c1-4-14-8-9-16-11-12-6-5-7-13(10-12)15(2)3/h5-7,10,14H,4,8-9,11H2,1-3H3
InChIKeyOLYNHIXCJPASBI-UHFFFAOYSA-N
XLogP1.88
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl 3-[2-(ethylamino)ethoxymethyl]benzoate
CID 82353102
3-(2-ethoxyethyl)-N,N-dimethylaniline
CID 142585590
N,N-dimethyl-3-[(2-methylpropan-2-yl)oxymethyl]aniline
CID 130328244
2-[(3,5-difluorophenyl)methoxy]-N-ethylethanamine
CID 105404471
2-[(4-bromophenyl)methoxy]-N-ethylethanamine
CID 62337818
N-[2-[(3-chlorophenyl)methoxy]ethyl]-N',N'-diethylethane-1,2-diamine
CID 65125563
N,N-diethyl-2-[[3-(ethylaminomethyl)phenyl]methoxy]ethanamine
CID 62460949
2-[2-(benzylamino)ethoxy]-N-ethylethanamine
CID 18338934
N-[2-[[3-(ethylaminomethyl)phenyl]methoxy]ethyl]-N-methylcyclopropanamine
CID 102740885
3-[[4-(ethylaminomethyl)phenyl]methoxy]-N,N-dimethylaniline
CID 62484357
[3-(dimethylamino)phenyl]methyl 4-ethoxybutanoate
CID 56806949
N-[[3-(3-methylbutoxymethyl)phenyl]methyl]ethanamine
CID 62445525

Frequently Asked Questions

What is the IUPAC name of 3-[2-(ethylamino)ethoxymethyl]-N,N-dimethylaniline?
The IUPAC name of 3-[2-(ethylamino)ethoxymethyl]-N,N-dimethylaniline (CID 82353951) is 3-[2-(ethylamino)ethoxymethyl]-N,N-dimethylaniline.
What is the SMILES notation for 3-[2-(ethylamino)ethoxymethyl]-N,N-dimethylaniline?
The canonical SMILES for 3-[2-(ethylamino)ethoxymethyl]-N,N-dimethylaniline is CCNCCOCc1cccc(N(C)C)c1.
What is the InChIKey of 3-[2-(ethylamino)ethoxymethyl]-N,N-dimethylaniline?
The InChIKey is OLYNHIXCJPASBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-4-14-8-9-16-11-12-6-5-7-13(10-12)15(2)3/h5-7,10,14H,4,8-9,11H2,1-3H3.
What are the key properties of 3-[2-(ethylamino)ethoxymethyl]-N,N-dimethylaniline?
3-[2-(ethylamino)ethoxymethyl]-N,N-dimethylaniline has a molecular weight of 222.33 g/mol, XLogP of 1.88, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(ethylamino)ethoxymethyl]-N,N-dimethylaniline is sourced from PubChem (CID 82353951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).