4-[[2-ethoxyethyl(methyl)amino]methyl]-2-methylaniline

C13H22N2O — CID 81055776

IUPAC4-[[2-ethoxyethyl(methyl)amino]methyl]-2-methylaniline
SMILESCCOCCN(C)Cc1ccc(N)c(C)c1
InChIInChI=1S/C13H22N2O/c1-4-16-8-7-15(3)10-12-5-6-13(14)11(2)9-12/h5-6,9H,4,7-8,10,14H2,1-3H3
InChIKeyBGGNPBRLDUNTJE-UHFFFAOYSA-N
MW222.33 g/mol
LogP2.05
Rot. Bonds6

About 4-[[2-ethoxyethyl(methyl)amino]methyl]-2-methylaniline

4-[[2-ethoxyethyl(methyl)amino]methyl]-2-methylaniline (PubChem CID 81055776) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 4-[[2-ethoxyethyl(methyl)amino]methyl]-2-methylaniline.

Molecular Properties

Compound Name4-[[2-ethoxyethyl(methyl)amino]methyl]-2-methylaniline
PubChem CID81055776
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name4-[[2-ethoxyethyl(methyl)amino]methyl]-2-methylaniline
SMILESCCOCCN(C)Cc1ccc(N)c(C)c1
InChIInChI=1S/C13H22N2O/c1-4-16-8-7-15(3)10-12-5-6-13(14)11(2)9-12/h5-6,9H,4,7-8,10,14H2,1-3H3
InChIKeyBGGNPBRLDUNTJE-UHFFFAOYSA-N
XLogP2.05
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 ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-3-[[2-ethoxyethyl(methyl)amino]methyl]aniline
CID 115297795
2-ethoxy-N-[[3-(ethylaminomethyl)phenyl]methyl]-N-methylethanamine
CID 81068359
5-[[2-ethoxyethyl(methyl)amino]methyl]-2-methoxybenzoic acid
CID 81067675
2-[[2-ethoxyethyl(methyl)amino]methyl]aniline
CID 43458606
4-[[bis(2-ethoxyethyl)amino]methyl]-2-fluoroaniline
CID 82965656
2-[4-[[2-ethoxyethyl(methyl)amino]methyl]phenyl]propan-1-amine
CID 105348027
4-[[(3-methoxyphenyl)methyl-methylamino]methyl]-2-methylaniline
CID 61418042
N-[[3-[[2-ethoxyethyl(methyl)amino]methyl]phenyl]methyl]propan-1-amine
CID 81067727
4-[[2-ethoxyethyl(methyl)amino]methyl]-N-ethylpyridin-2-amine
CID 81074834
N-[[5-(aminomethyl)-2-fluorophenyl]methyl]-2-ethoxy-N-methylethanamine
CID 81059786
4-[[2-ethoxyethyl(methyl)amino]methyl]-N'-hydroxy-2-methoxybenzenecarboximidamide
CID 106789872
N'-[(4-ethoxy-3-methylphenyl)methyl]-N'-methylethane-1,2-diamine
CID 98783803

Frequently Asked Questions

What is the IUPAC name of 4-[[2-ethoxyethyl(methyl)amino]methyl]-2-methylaniline?
The IUPAC name of 4-[[2-ethoxyethyl(methyl)amino]methyl]-2-methylaniline (CID 81055776) is 4-[[2-ethoxyethyl(methyl)amino]methyl]-2-methylaniline.
What is the SMILES notation for 4-[[2-ethoxyethyl(methyl)amino]methyl]-2-methylaniline?
The canonical SMILES for 4-[[2-ethoxyethyl(methyl)amino]methyl]-2-methylaniline is CCOCCN(C)Cc1ccc(N)c(C)c1.
What is the InChIKey of 4-[[2-ethoxyethyl(methyl)amino]methyl]-2-methylaniline?
The InChIKey is BGGNPBRLDUNTJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-4-16-8-7-15(3)10-12-5-6-13(14)11(2)9-12/h5-6,9H,4,7-8,10,14H2,1-3H3.
What are the key properties of 4-[[2-ethoxyethyl(methyl)amino]methyl]-2-methylaniline?
4-[[2-ethoxyethyl(methyl)amino]methyl]-2-methylaniline has a molecular weight of 222.33 g/mol, XLogP of 2.05, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-ethoxyethyl(methyl)amino]methyl]-2-methylaniline is sourced from PubChem (CID 81055776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).