3-[2-(dimethylamino)ethoxy]-N-(3-methylbutan-2-yl)aniline

C15H26N2O — CID 43720877

IUPAC3-[2-(dimethylamino)ethoxy]-N-(3-methylbutan-2-yl)aniline
SMILESCC(C)C(C)Nc1cccc(OCCN(C)C)c1
InChIInChI=1S/C15H26N2O/c1-12(2)13(3)16-14-7-6-8-15(11-14)18-10-9-17(4)5/h6-8,11-13,16H,9-10H2,1-5H3
InChIKeyQORAKFACAXDVGG-UHFFFAOYSA-N
MW250.39 g/mol
LogP3.08
Rot. Bonds7

About 3-[2-(dimethylamino)ethoxy]-N-(3-methylbutan-2-yl)aniline

3-[2-(dimethylamino)ethoxy]-N-(3-methylbutan-2-yl)aniline (PubChem CID 43720877) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is 3-[2-(dimethylamino)ethoxy]-N-(3-methylbutan-2-yl)aniline.

Molecular Properties

Compound Name3-[2-(dimethylamino)ethoxy]-N-(3-methylbutan-2-yl)aniline
PubChem CID43720877
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name3-[2-(dimethylamino)ethoxy]-N-(3-methylbutan-2-yl)aniline
SMILESCC(C)C(C)Nc1cccc(OCCN(C)C)c1
InChIInChI=1S/C15H26N2O/c1-12(2)13(3)16-14-7-6-8-15(11-14)18-10-9-17(4)5/h6-8,11-13,16H,9-10H2,1-5H3
InChIKeyQORAKFACAXDVGG-UHFFFAOYSA-N
XLogP3.08
TPSA24.50 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 ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-(dimethylamino)ethoxy]-N-pentan-3-ylaniline
CID 43720882
3-[2-(dimethylamino)ethoxy]-N-(2-methylpropyl)aniline
CID 43720849
N-(dicyclopropylmethyl)-3-[2-(dimethylamino)ethoxy]aniline
CID 43720885
N-[1-(5-bromofuran-2-yl)ethyl]-3-[2-(dimethylamino)ethoxy]aniline
CID 104652524
3-[2-(dimethylamino)ethoxy]-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline
CID 43786044
methyl 2-[3-[2-(dimethylamino)ethoxy]anilino]butanoate
CID 115352749
3-[2-(dimethylamino)ethoxy]-N-[1-(2-methylpyrazol-3-yl)ethyl]aniline
CID 106757328
3-[2-(dimethylamino)ethoxy]-N-[1-(1,3-thiazol-5-yl)ethyl]aniline
CID 115928826
N-[3-[2-(dimethylamino)ethoxy]phenyl]ethanesulfonamide
CID 64593310
(2S)-2-amino-N-[3-[2-(dimethylamino)ethoxy]phenyl]-3,3-dimethylbutanamide
CID 61180242
2-(3-methoxyphenoxy)-N,N-dimethylethanamine
CID 10081369
N-[3-[2-(dimethylamino)ethoxy]phenyl]-2,2-dimethylpropanamide
CID 60776296

Frequently Asked Questions

What is the IUPAC name of 3-[2-(dimethylamino)ethoxy]-N-(3-methylbutan-2-yl)aniline?
The IUPAC name of 3-[2-(dimethylamino)ethoxy]-N-(3-methylbutan-2-yl)aniline (CID 43720877) is 3-[2-(dimethylamino)ethoxy]-N-(3-methylbutan-2-yl)aniline.
What is the SMILES notation for 3-[2-(dimethylamino)ethoxy]-N-(3-methylbutan-2-yl)aniline?
The canonical SMILES for 3-[2-(dimethylamino)ethoxy]-N-(3-methylbutan-2-yl)aniline is CC(C)C(C)Nc1cccc(OCCN(C)C)c1.
What is the InChIKey of 3-[2-(dimethylamino)ethoxy]-N-(3-methylbutan-2-yl)aniline?
The InChIKey is QORAKFACAXDVGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-12(2)13(3)16-14-7-6-8-15(11-14)18-10-9-17(4)5/h6-8,11-13,16H,9-10H2,1-5H3.
What are the key properties of 3-[2-(dimethylamino)ethoxy]-N-(3-methylbutan-2-yl)aniline?
3-[2-(dimethylamino)ethoxy]-N-(3-methylbutan-2-yl)aniline has a molecular weight of 250.39 g/mol, XLogP of 3.08, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(dimethylamino)ethoxy]-N-(3-methylbutan-2-yl)aniline is sourced from PubChem (CID 43720877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).