3-(diethylaminomethyl)-4-ethoxyaniline

C13H22N2O — CID 12703368

IUPAC3-(diethylaminomethyl)-4-ethoxyaniline
SMILESCCOc1ccc(N)cc1CN(CC)CC
InChIInChI=1S/C13H22N2O/c1-4-15(5-2)10-11-9-12(14)7-8-13(11)16-6-3/h7-9H,4-6,10,14H2,1-3H3
InChIKeyWYOSHDUBGFIFMW-UHFFFAOYSA-N
MW222.33 g/mol
LogP2.51
Rot. Bonds6

About 3-(diethylaminomethyl)-4-ethoxyaniline

3-(diethylaminomethyl)-4-ethoxyaniline (PubChem CID 12703368) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 3-(diethylaminomethyl)-4-ethoxyaniline.

Molecular Properties

Compound Name3-(diethylaminomethyl)-4-ethoxyaniline
PubChem CID12703368
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name3-(diethylaminomethyl)-4-ethoxyaniline
SMILESCCOc1ccc(N)cc1CN(CC)CC
InChIInChI=1S/C13H22N2O/c1-4-15(5-2)10-11-9-12(14)7-8-13(11)16-6-3/h7-9H,4-6,10,14H2,1-3H3
InChIKeyWYOSHDUBGFIFMW-UHFFFAOYSA-N
XLogP2.51
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[[cyclopropylmethyl(ethyl)amino]methyl]-4-ethoxyaniline
CID 63955929
3-[(5-amino-2-ethoxyphenyl)methyl-ethylamino]propanenitrile
CID 54988248
N-[(5-bromo-2-ethoxyphenyl)methyl]-N-ethylethanamine
CID 940103
3-[[cyclopentyl(ethyl)amino]methyl]-4-ethoxyaniline
CID 43540722
2-[(5-amino-2-ethoxyphenyl)methyl-methylamino]acetamide
CID 43373771
3-[[3,3-dimethylbutan-2-yl(methyl)amino]methyl]-4-ethoxyaniline
CID 55007073
4-ethoxy-3-[[methyl-[(2-methylphenyl)methyl]amino]methyl]aniline
CID 43574952
4-ethoxy-3-(propoxymethyl)aniline
CID 43260240
4-ethoxy-3-[(4-ethylpiperazin-1-yl)methyl]aniline
CID 43259559
N-[(5-amino-2-ethoxyphenyl)methyl]-N-methyloxan-4-amine
CID 43610736
3-[[cyclobutylmethyl(methyl)amino]methyl]-4-ethoxyaniline
CID 62861106
4-amino-2-ethoxyphenol
CID 12856010

Frequently Asked Questions

What is the IUPAC name of 3-(diethylaminomethyl)-4-ethoxyaniline?
The IUPAC name of 3-(diethylaminomethyl)-4-ethoxyaniline (CID 12703368) is 3-(diethylaminomethyl)-4-ethoxyaniline.
What is the SMILES notation for 3-(diethylaminomethyl)-4-ethoxyaniline?
The canonical SMILES for 3-(diethylaminomethyl)-4-ethoxyaniline is CCOc1ccc(N)cc1CN(CC)CC.
What is the InChIKey of 3-(diethylaminomethyl)-4-ethoxyaniline?
The InChIKey is WYOSHDUBGFIFMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-4-15(5-2)10-11-9-12(14)7-8-13(11)16-6-3/h7-9H,4-6,10,14H2,1-3H3.
What are the key properties of 3-(diethylaminomethyl)-4-ethoxyaniline?
3-(diethylaminomethyl)-4-ethoxyaniline has a molecular weight of 222.33 g/mol, XLogP of 2.51, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(diethylaminomethyl)-4-ethoxyaniline is sourced from PubChem (CID 12703368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).