3-[2-(dimethylamino)ethoxy]-N-[(5-methylfuran-2-yl)methyl]aniline

C16H22N2O2 — CID 43720850

IUPAC3-[2-(dimethylamino)ethoxy]-N-[(5-methylfuran-2-yl)methyl]aniline
SMILESCc1ccc(CNc2cccc(OCCN(C)C)c2)o1
InChIInChI=1S/C16H22N2O2/c1-13-7-8-16(20-13)12-17-14-5-4-6-15(11-14)19-10-9-18(2)3/h4-8,11,17H,9-10,12H2,1-3H3
InChIKeyRPCVXCGNXPSJBM-UHFFFAOYSA-N
MW274.36 g/mol
LogP3.14
Rot. Bonds7

About 3-[2-(dimethylamino)ethoxy]-N-[(5-methylfuran-2-yl)methyl]aniline

3-[2-(dimethylamino)ethoxy]-N-[(5-methylfuran-2-yl)methyl]aniline (PubChem CID 43720850) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 3-[2-(dimethylamino)ethoxy]-N-[(5-methylfuran-2-yl)methyl]aniline.

Molecular Properties

Compound Name3-[2-(dimethylamino)ethoxy]-N-[(5-methylfuran-2-yl)methyl]aniline
PubChem CID43720850
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name3-[2-(dimethylamino)ethoxy]-N-[(5-methylfuran-2-yl)methyl]aniline
SMILESCc1ccc(CNc2cccc(OCCN(C)C)c2)o1
InChIInChI=1S/C16H22N2O2/c1-13-7-8-16(20-13)12-17-14-5-4-6-15(11-14)19-10-9-18(2)3/h4-8,11,17H,9-10,12H2,1-3H3
InChIKeyRPCVXCGNXPSJBM-UHFFFAOYSA-N
XLogP3.14
TPSA37.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(5-methylfuran-2-yl)methyl]-3-(2-methylpropoxy)aniline
CID 54864368
2-[3-[(5-methylfuran-2-yl)methylamino]phenoxy]acetonitrile
CID 43721153
3-[2-(dimethylamino)ethoxy]-N-[(2-methylphenyl)methyl]aniline
CID 43720831
3-[2-(dimethylamino)ethoxy]-N-[(2-methyl-1,3-thiazol-5-yl)methyl]aniline
CID 60940843
N-[(4-bromothiophen-2-yl)methyl]-3-[2-(dimethylamino)ethoxy]aniline
CID 43720906
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
3-[2-(dimethylamino)ethoxy]-N-[(2-methylpyrimidin-4-yl)methyl]aniline
CID 62748054
N-[(3-bromofuran-2-yl)methyl]-3-[2-(dimethylamino)ethoxy]aniline
CID 103818527
[5-[[4-[2-(dimethylamino)ethoxy]anilino]methyl]furan-2-yl]methanol
CID 64591781
4-[2-(dimethylamino)ethoxy]-N-(furan-2-ylmethyl)aniline
CID 54863892

Frequently Asked Questions

What is the IUPAC name of 3-[2-(dimethylamino)ethoxy]-N-[(5-methylfuran-2-yl)methyl]aniline?
The IUPAC name of 3-[2-(dimethylamino)ethoxy]-N-[(5-methylfuran-2-yl)methyl]aniline (CID 43720850) is 3-[2-(dimethylamino)ethoxy]-N-[(5-methylfuran-2-yl)methyl]aniline.
What is the SMILES notation for 3-[2-(dimethylamino)ethoxy]-N-[(5-methylfuran-2-yl)methyl]aniline?
The canonical SMILES for 3-[2-(dimethylamino)ethoxy]-N-[(5-methylfuran-2-yl)methyl]aniline is Cc1ccc(CNc2cccc(OCCN(C)C)c2)o1.
What is the InChIKey of 3-[2-(dimethylamino)ethoxy]-N-[(5-methylfuran-2-yl)methyl]aniline?
The InChIKey is RPCVXCGNXPSJBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-13-7-8-16(20-13)12-17-14-5-4-6-15(11-14)19-10-9-18(2)3/h4-8,11,17H,9-10,12H2,1-3H3.
What are the key properties of 3-[2-(dimethylamino)ethoxy]-N-[(5-methylfuran-2-yl)methyl]aniline?
3-[2-(dimethylamino)ethoxy]-N-[(5-methylfuran-2-yl)methyl]aniline has a molecular weight of 274.36 g/mol, XLogP of 3.14, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(dimethylamino)ethoxy]-N-[(5-methylfuran-2-yl)methyl]aniline is sourced from PubChem (CID 43720850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).