3-[2-(dimethylamino)ethoxy]-N-[(2-methylpyrimidin-4-yl)methyl]aniline

C16H22N4O — CID 62748054

IUPAC3-[2-(dimethylamino)ethoxy]-N-[(2-methylpyrimidin-4-yl)methyl]aniline
SMILESCc1nccc(CNc2cccc(OCCN(C)C)c2)n1
InChIInChI=1S/C16H22N4O/c1-13-17-8-7-15(19-13)12-18-14-5-4-6-16(11-14)21-10-9-20(2)3/h4-8,11,18H,9-10,12H2,1-3H3
InChIKeyORLIJVVUYRMXQA-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.34
Rot. Bonds7

About 3-[2-(dimethylamino)ethoxy]-N-[(2-methylpyrimidin-4-yl)methyl]aniline

3-[2-(dimethylamino)ethoxy]-N-[(2-methylpyrimidin-4-yl)methyl]aniline (PubChem CID 62748054) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is 3-[2-(dimethylamino)ethoxy]-N-[(2-methylpyrimidin-4-yl)methyl]aniline.

Molecular Properties

Compound Name3-[2-(dimethylamino)ethoxy]-N-[(2-methylpyrimidin-4-yl)methyl]aniline
PubChem CID62748054
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name3-[2-(dimethylamino)ethoxy]-N-[(2-methylpyrimidin-4-yl)methyl]aniline
SMILESCc1nccc(CNc2cccc(OCCN(C)C)c2)n1
InChIInChI=1S/C16H22N4O/c1-13-17-8-7-15(19-13)12-18-14-5-4-6-16(11-14)21-10-9-20(2)3/h4-8,11,18H,9-10,12H2,1-3H3
InChIKeyORLIJVVUYRMXQA-UHFFFAOYSA-N
XLogP2.34
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-butan-2-yloxy-N-[(2-methylpyrimidin-4-yl)methyl]aniline
CID 62749146
3-[2-(dimethylamino)ethoxy]-N-[(2-methylphenyl)methyl]aniline
CID 43720831
3-bromo-N-[(2-methylpyrimidin-4-yl)methyl]aniline
CID 62747500
3-[2-(dimethylamino)ethoxy]-N-[(2-methyl-1,3-thiazol-5-yl)methyl]aniline
CID 60940843
3-[2-(dimethylamino)ethoxy]-N-[(5-methylfuran-2-yl)methyl]aniline
CID 43720850
N-[(2-chlorophenyl)methyl]-3-[2-(dimethylamino)ethoxy]aniline
CID 43720825
3-[2-(dimethylamino)ethoxy]-N-(1H-pyrrol-2-ylmethyl)aniline
CID 62328048
3-[2-(dimethylamino)ethoxy]-N-(2-methylpropyl)aniline
CID 43720849
N-[(3-bromofuran-2-yl)methyl]-3-[2-(dimethylamino)ethoxy]aniline
CID 103818527
N-[(4-bromothiophen-2-yl)methyl]-3-[2-(dimethylamino)ethoxy]aniline
CID 43720906
4-methoxy-N-[(2-methylpyrimidin-4-yl)methyl]aniline
CID 62748569
2-methyl-4-[[3-(sulfamoylamino)anilino]methyl]pyrimidine
CID 62749480

Frequently Asked Questions

What is the IUPAC name of 3-[2-(dimethylamino)ethoxy]-N-[(2-methylpyrimidin-4-yl)methyl]aniline?
The IUPAC name of 3-[2-(dimethylamino)ethoxy]-N-[(2-methylpyrimidin-4-yl)methyl]aniline (CID 62748054) is 3-[2-(dimethylamino)ethoxy]-N-[(2-methylpyrimidin-4-yl)methyl]aniline.
What is the SMILES notation for 3-[2-(dimethylamino)ethoxy]-N-[(2-methylpyrimidin-4-yl)methyl]aniline?
The canonical SMILES for 3-[2-(dimethylamino)ethoxy]-N-[(2-methylpyrimidin-4-yl)methyl]aniline is Cc1nccc(CNc2cccc(OCCN(C)C)c2)n1.
What is the InChIKey of 3-[2-(dimethylamino)ethoxy]-N-[(2-methylpyrimidin-4-yl)methyl]aniline?
The InChIKey is ORLIJVVUYRMXQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-13-17-8-7-15(19-13)12-18-14-5-4-6-16(11-14)21-10-9-20(2)3/h4-8,11,18H,9-10,12H2,1-3H3.
What are the key properties of 3-[2-(dimethylamino)ethoxy]-N-[(2-methylpyrimidin-4-yl)methyl]aniline?
3-[2-(dimethylamino)ethoxy]-N-[(2-methylpyrimidin-4-yl)methyl]aniline has a molecular weight of 286.38 g/mol, XLogP of 2.34, 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-[(2-methylpyrimidin-4-yl)methyl]aniline is sourced from PubChem (CID 62748054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).