3-[2-(diethylamino)ethoxy]-5-methoxyaniline

C13H22N2O2 — CID 80748413

IUPAC3-[2-(diethylamino)ethoxy]-5-methoxyaniline
SMILESCCN(CC)CCOc1cc(N)cc(OC)c1
InChIInChI=1S/C13H22N2O2/c1-4-15(5-2)6-7-17-13-9-11(14)8-12(10-13)16-3/h8-10H,4-7,14H2,1-3H3
InChIKeyGTJDRRANDHGWBR-UHFFFAOYSA-N
MW238.33 g/mol
LogP2.00
Rot. Bonds7

About 3-[2-(diethylamino)ethoxy]-5-methoxyaniline

3-[2-(diethylamino)ethoxy]-5-methoxyaniline (PubChem CID 80748413) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 3-[2-(diethylamino)ethoxy]-5-methoxyaniline.

Molecular Properties

Compound Name3-[2-(diethylamino)ethoxy]-5-methoxyaniline
PubChem CID80748413
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name3-[2-(diethylamino)ethoxy]-5-methoxyaniline
SMILESCCN(CC)CCOc1cc(N)cc(OC)c1
InChIInChI=1S/C13H22N2O2/c1-4-15(5-2)6-7-17-13-9-11(14)8-12(10-13)16-3/h8-10H,4-7,14H2,1-3H3
InChIKeyGTJDRRANDHGWBR-UHFFFAOYSA-N
XLogP2.00
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N,N-diethyl-2-(3-methoxy-5-nitrophenoxy)ethanamine
CID 142721432
3-bromo-4-[2-(diethylamino)ethoxy]-5-methoxyaniline
CID 3024523
5-[2-(dimethylamino)ethoxy]benzene-1,3-diamine
CID 68840526
4-[3-[2-(diethylamino)ethoxy]phenoxy]benzene-1,2-diamine
CID 21451827
2-[2-(aminomethyl)-4-methoxyphenoxy]-N,N-diethylethanamine
CID 43268159
2-(3-amino-5-methoxyphenoxy)ethyl dihydrogen phosphate
CID 131964251
3,5-diethoxyaniline
CID 22605063
N'-[(3-amino-5-methoxyphenyl)methyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine
CID 102991518
3-(cyclopropylmethoxy)-5-methoxyaniline
CID 80748394
N,N-diethyl-2-[4-[2-[4-(4-methoxyphenyl)phenyl]ethynyl]phenoxy]ethanamine
CID 122184570
2-(3,5-dimethoxyphenoxy)ethanethiol;ethane
CID 144886217
1-(3-bromopropoxy)-3,5-dimethoxybenzene
CID 12959383

Frequently Asked Questions

What is the IUPAC name of 3-[2-(diethylamino)ethoxy]-5-methoxyaniline?
The IUPAC name of 3-[2-(diethylamino)ethoxy]-5-methoxyaniline (CID 80748413) is 3-[2-(diethylamino)ethoxy]-5-methoxyaniline.
What is the SMILES notation for 3-[2-(diethylamino)ethoxy]-5-methoxyaniline?
The canonical SMILES for 3-[2-(diethylamino)ethoxy]-5-methoxyaniline is CCN(CC)CCOc1cc(N)cc(OC)c1.
What is the InChIKey of 3-[2-(diethylamino)ethoxy]-5-methoxyaniline?
The InChIKey is GTJDRRANDHGWBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-4-15(5-2)6-7-17-13-9-11(14)8-12(10-13)16-3/h8-10H,4-7,14H2,1-3H3.
What are the key properties of 3-[2-(diethylamino)ethoxy]-5-methoxyaniline?
3-[2-(diethylamino)ethoxy]-5-methoxyaniline has a molecular weight of 238.33 g/mol, XLogP of 2.00, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(diethylamino)ethoxy]-5-methoxyaniline is sourced from PubChem (CID 80748413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).