5-[[2-methoxyethyl(2-methylpropyl)amino]methyl]-2-methylaniline

C15H26N2O — CID 54985891

IUPAC5-[[2-methoxyethyl(2-methylpropyl)amino]methyl]-2-methylaniline
SMILESCOCCN(Cc1ccc(C)c(N)c1)CC(C)C
InChIInChI=1S/C15H26N2O/c1-12(2)10-17(7-8-18-4)11-14-6-5-13(3)15(16)9-14/h5-6,9,12H,7-8,10-11,16H2,1-4H3
InChIKeyADAJNYBFJHJKQH-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.68
Rot. Bonds7

About 5-[[2-methoxyethyl(2-methylpropyl)amino]methyl]-2-methylaniline

5-[[2-methoxyethyl(2-methylpropyl)amino]methyl]-2-methylaniline (PubChem CID 54985891) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is 5-[[2-methoxyethyl(2-methylpropyl)amino]methyl]-2-methylaniline.

Molecular Properties

Compound Name5-[[2-methoxyethyl(2-methylpropyl)amino]methyl]-2-methylaniline
PubChem CID54985891
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name5-[[2-methoxyethyl(2-methylpropyl)amino]methyl]-2-methylaniline
SMILESCOCCN(Cc1ccc(C)c(N)c1)CC(C)C
InChIInChI=1S/C15H26N2O/c1-12(2)10-17(7-8-18-4)11-14-6-5-13(3)15(16)9-14/h5-6,9,12H,7-8,10-11,16H2,1-4H3
InChIKeyADAJNYBFJHJKQH-UHFFFAOYSA-N
XLogP2.68
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.68
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

N-[[3-(aminomethyl)-4-methoxyphenyl]methyl]-N-(2-methoxyethyl)-2-methylpropan-1-amine
CID 65338850
2-methyl-5-[[methyl(2-methylpropyl)amino]methyl]aniline
CID 43272233
2-bromo-4-[[2-methoxyethyl(2-methylpropyl)amino]methyl]phenol
CID 82981827
2-chloro-4-[[2-methoxyethyl(2-methylpropyl)amino]methyl]phenol
CID 82982520
1-(3-amino-4-methylphenyl)-2-[bis(2-methoxyethyl)amino]ethanol
CID 82071614
5-fluoro-2-[[2-methoxyethyl(2-methylpropyl)amino]methyl]aniline
CID 64770363
2-methoxy-4-[[2-methoxyethyl(2-methylpropyl)amino]methyl]benzenecarbothioamide
CID 106788809
2-methyl-5-[[methyl(3-methylbutyl)amino]methyl]aniline
CID 61429364
N-(2,3-dihydro-1H-indol-5-ylmethyl)-N-(2-methoxyethyl)-2-methylpropan-1-amine
CID 54985987
N-[(4-hydrazinyl-3-nitrophenyl)methyl]-N-(2-methoxyethyl)-2-methylpropan-1-amine
CID 62247011
4-[[2-methoxyethyl(2-methylpropyl)amino]methyl]-N-propylpyridin-2-amine
CID 62469766
2-[[2-methoxyethyl(2-methylpropyl)amino]methyl]pyridin-3-amine
CID 104739945

Frequently Asked Questions

What is the IUPAC name of 5-[[2-methoxyethyl(2-methylpropyl)amino]methyl]-2-methylaniline?
The IUPAC name of 5-[[2-methoxyethyl(2-methylpropyl)amino]methyl]-2-methylaniline (CID 54985891) is 5-[[2-methoxyethyl(2-methylpropyl)amino]methyl]-2-methylaniline.
What is the SMILES notation for 5-[[2-methoxyethyl(2-methylpropyl)amino]methyl]-2-methylaniline?
The canonical SMILES for 5-[[2-methoxyethyl(2-methylpropyl)amino]methyl]-2-methylaniline is COCCN(Cc1ccc(C)c(N)c1)CC(C)C.
What is the InChIKey of 5-[[2-methoxyethyl(2-methylpropyl)amino]methyl]-2-methylaniline?
The InChIKey is ADAJNYBFJHJKQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-12(2)10-17(7-8-18-4)11-14-6-5-13(3)15(16)9-14/h5-6,9,12H,7-8,10-11,16H2,1-4H3.
What are the key properties of 5-[[2-methoxyethyl(2-methylpropyl)amino]methyl]-2-methylaniline?
5-[[2-methoxyethyl(2-methylpropyl)amino]methyl]-2-methylaniline has a molecular weight of 250.39 g/mol, XLogP of 2.68, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-methoxyethyl(2-methylpropyl)amino]methyl]-2-methylaniline is sourced from PubChem (CID 54985891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).