3-[2-(dimethylamino)ethoxy]-N-[1-(2-methylpyrazol-3-yl)ethyl]aniline

C16H24N4O — CID 106757328

IUPAC3-[2-(dimethylamino)ethoxy]-N-[1-(2-methylpyrazol-3-yl)ethyl]aniline
SMILESCC(Nc1cccc(OCCN(C)C)c1)c1ccnn1C
InChIInChI=1S/C16H24N4O/c1-13(16-8-9-17-20(16)4)18-14-6-5-7-15(12-14)21-11-10-19(2)3/h5-9,12-13,18H,10-11H2,1-4H3
InChIKeyOEGDTWVXQOMYPT-UHFFFAOYSA-N
MW288.40 g/mol
LogP2.53
Rot. Bonds7

About 3-[2-(dimethylamino)ethoxy]-N-[1-(2-methylpyrazol-3-yl)ethyl]aniline

3-[2-(dimethylamino)ethoxy]-N-[1-(2-methylpyrazol-3-yl)ethyl]aniline (PubChem CID 106757328) has the molecular formula C16H24N4O and a molecular weight of 288.40 g/mol. Its IUPAC name is 3-[2-(dimethylamino)ethoxy]-N-[1-(2-methylpyrazol-3-yl)ethyl]aniline.

Molecular Properties

Compound Name3-[2-(dimethylamino)ethoxy]-N-[1-(2-methylpyrazol-3-yl)ethyl]aniline
PubChem CID106757328
Molecular FormulaC16H24N4O
Molecular Weight288.40 g/mol
Exact Mass288.20
IUPAC Name3-[2-(dimethylamino)ethoxy]-N-[1-(2-methylpyrazol-3-yl)ethyl]aniline
SMILESCC(Nc1cccc(OCCN(C)C)c1)c1ccnn1C
InChIInChI=1S/C16H24N4O/c1-13(16-8-9-17-20(16)4)18-14-6-5-7-15(12-14)21-11-10-19(2)3/h5-9,12-13,18H,10-11H2,1-4H3
InChIKeyOEGDTWVXQOMYPT-UHFFFAOYSA-N
XLogP2.53
TPSA42.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.40
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[3-[1-(2-methylpyrazol-3-yl)ethylamino]phenoxy]butanenitrile
CID 106757585
3-[2-(dimethylamino)ethoxy]-N-(3-methylbutan-2-yl)aniline
CID 43720877
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
3-[2-(dimethylamino)ethoxy]-N-pentan-3-ylaniline
CID 43720882
3-[2-(dimethylamino)ethoxy]-N-[1-(1,3-thiazol-5-yl)ethyl]aniline
CID 115928826
3-[2-(dimethylamino)ethoxy]-N-(2-methylpropyl)aniline
CID 43720849
N-(dicyclopropylmethyl)-3-[2-(dimethylamino)ethoxy]aniline
CID 43720885
3-ethynyl-N-[1-(2-methylpyrazol-3-yl)ethyl]aniline
CID 106756777
3-[3-[1-(2-methylpyrazol-3-yl)ethylamino]phenyl]propan-1-ol
CID 106758050
N-[1-(2-methylpyrazol-3-yl)ethyl]-3-pyrrolidin-1-ylaniline
CID 106757576
methyl 2-[3-[2-(dimethylamino)ethoxy]anilino]butanoate
CID 115352749

Frequently Asked Questions

What is the IUPAC name of 3-[2-(dimethylamino)ethoxy]-N-[1-(2-methylpyrazol-3-yl)ethyl]aniline?
The IUPAC name of 3-[2-(dimethylamino)ethoxy]-N-[1-(2-methylpyrazol-3-yl)ethyl]aniline (CID 106757328) is 3-[2-(dimethylamino)ethoxy]-N-[1-(2-methylpyrazol-3-yl)ethyl]aniline.
What is the SMILES notation for 3-[2-(dimethylamino)ethoxy]-N-[1-(2-methylpyrazol-3-yl)ethyl]aniline?
The canonical SMILES for 3-[2-(dimethylamino)ethoxy]-N-[1-(2-methylpyrazol-3-yl)ethyl]aniline is CC(Nc1cccc(OCCN(C)C)c1)c1ccnn1C.
What is the InChIKey of 3-[2-(dimethylamino)ethoxy]-N-[1-(2-methylpyrazol-3-yl)ethyl]aniline?
The InChIKey is OEGDTWVXQOMYPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O/c1-13(16-8-9-17-20(16)4)18-14-6-5-7-15(12-14)21-11-10-19(2)3/h5-9,12-13,18H,10-11H2,1-4H3.
What are the key properties of 3-[2-(dimethylamino)ethoxy]-N-[1-(2-methylpyrazol-3-yl)ethyl]aniline?
3-[2-(dimethylamino)ethoxy]-N-[1-(2-methylpyrazol-3-yl)ethyl]aniline has a molecular weight of 288.40 g/mol, XLogP of 2.53, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(dimethylamino)ethoxy]-N-[1-(2-methylpyrazol-3-yl)ethyl]aniline is sourced from PubChem (CID 106757328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).