3-[[4-(2-aminoethyl)phenyl]methoxy]-N,N-dimethylaniline

C17H22N2O — CID 105350827

IUPAC3-[[4-(2-aminoethyl)phenyl]methoxy]-N,N-dimethylaniline
SMILESCN(C)c1cccc(OCc2ccc(CCN)cc2)c1
InChIInChI=1S/C17H22N2O/c1-19(2)16-4-3-5-17(12-16)20-13-15-8-6-14(7-9-15)10-11-18/h3-9,12H,10-11,13,18H2,1-2H3
InChIKeyLJXNIDCJMGLKPV-UHFFFAOYSA-N
MW270.38 g/mol
LogP2.83
Rot. Bonds6

About 3-[[4-(2-aminoethyl)phenyl]methoxy]-N,N-dimethylaniline

3-[[4-(2-aminoethyl)phenyl]methoxy]-N,N-dimethylaniline (PubChem CID 105350827) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is 3-[[4-(2-aminoethyl)phenyl]methoxy]-N,N-dimethylaniline.

Molecular Properties

Compound Name3-[[4-(2-aminoethyl)phenyl]methoxy]-N,N-dimethylaniline
PubChem CID105350827
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name3-[[4-(2-aminoethyl)phenyl]methoxy]-N,N-dimethylaniline
SMILESCN(C)c1cccc(OCc2ccc(CCN)cc2)c1
InChIInChI=1S/C17H22N2O/c1-19(2)16-4-3-5-17(12-16)20-13-15-8-6-14(7-9-15)10-11-18/h3-9,12H,10-11,13,18H2,1-2H3
InChIKeyLJXNIDCJMGLKPV-UHFFFAOYSA-N
XLogP2.83
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[3-(2-aminoethyl)phenoxy]methyl]-N,N-dimethylaniline
CID 39205636
3-[[4-(1-aminopropan-2-yl)phenyl]methoxy]-N,N-dimethylaniline
CID 105350828
3-[[4-(ethylaminomethyl)phenyl]methoxy]-N,N-dimethylaniline
CID 62484357
3-[[2-(aminomethyl)phenyl]methoxy]-N,N-dimethylaniline
CID 22688623
3-[[4-(aminomethyl)-2-chlorophenyl]methoxy]-N,N-dimethylaniline
CID 102663561
3-[3-(2-aminoethyl)-5-fluorophenoxy]-N,N-dimethylaniline
CID 106533464
5-[[3-(dimethylamino)phenoxy]methyl]-N-methylpyridin-2-amine
CID 62187826
2-[4-[(3,4-dimethylphenoxy)methyl]phenyl]ethanamine
CID 105350576
3-[3-[2-(2-aminoethoxy)ethoxy]propoxy]-N,N-dimethylaniline
CID 82353541
5-[[3-(dimethylamino)phenoxy]methyl]-N-ethylpyridin-2-amine
CID 62187827
1-[4-(aminomethyl)phenyl]-2-[3-(dimethylamino)phenoxy]ethanol
CID 61229094
1-[3-[[4-(dimethylamino)phenyl]methoxy]phenyl]ethanone
CID 39205554

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(2-aminoethyl)phenyl]methoxy]-N,N-dimethylaniline?
The IUPAC name of 3-[[4-(2-aminoethyl)phenyl]methoxy]-N,N-dimethylaniline (CID 105350827) is 3-[[4-(2-aminoethyl)phenyl]methoxy]-N,N-dimethylaniline.
What is the SMILES notation for 3-[[4-(2-aminoethyl)phenyl]methoxy]-N,N-dimethylaniline?
The canonical SMILES for 3-[[4-(2-aminoethyl)phenyl]methoxy]-N,N-dimethylaniline is CN(C)c1cccc(OCc2ccc(CCN)cc2)c1.
What is the InChIKey of 3-[[4-(2-aminoethyl)phenyl]methoxy]-N,N-dimethylaniline?
The InChIKey is LJXNIDCJMGLKPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-19(2)16-4-3-5-17(12-16)20-13-15-8-6-14(7-9-15)10-11-18/h3-9,12H,10-11,13,18H2,1-2H3.
What are the key properties of 3-[[4-(2-aminoethyl)phenyl]methoxy]-N,N-dimethylaniline?
3-[[4-(2-aminoethyl)phenyl]methoxy]-N,N-dimethylaniline has a molecular weight of 270.38 g/mol, XLogP of 2.83, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(2-aminoethyl)phenyl]methoxy]-N,N-dimethylaniline is sourced from PubChem (CID 105350827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).