7-[[3-[2-(dimethylamino)ethoxy]phenoxy]methyl]quinolin-2-amine

C20H23N3O2 — CID 127034804

IUPAC7-[[3-[2-(dimethylamino)ethoxy]phenoxy]methyl]quinolin-2-amine
SMILESCN(C)CCOc1cccc(OCc2ccc3ccc(N)nc3c2)c1
InChIInChI=1S/C20H23N3O2/c1-23(2)10-11-24-17-4-3-5-18(13-17)25-14-15-6-7-16-8-9-20(21)22-19(16)12-15/h3-9,12-13H,10-11,14H2,1-2H3,(H2,21,22)
InChIKeyXRNGQGQMDXUBOX-UHFFFAOYSA-N
MW337.42 g/mol
LogP3.34
Rot. Bonds7

About 7-[[3-[2-(dimethylamino)ethoxy]phenoxy]methyl]quinolin-2-amine

7-[[3-[2-(dimethylamino)ethoxy]phenoxy]methyl]quinolin-2-amine (PubChem CID 127034804) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is 7-[[3-[2-(dimethylamino)ethoxy]phenoxy]methyl]quinolin-2-amine.

Molecular Properties

Compound Name7-[[3-[2-(dimethylamino)ethoxy]phenoxy]methyl]quinolin-2-amine
PubChem CID127034804
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC Name7-[[3-[2-(dimethylamino)ethoxy]phenoxy]methyl]quinolin-2-amine
SMILESCN(C)CCOc1cccc(OCc2ccc3ccc(N)nc3c2)c1
InChIInChI=1S/C20H23N3O2/c1-23(2)10-11-24-17-4-3-5-18(13-17)25-14-15-6-7-16-8-9-20(21)22-19(16)12-15/h3-9,12-13H,10-11,14H2,1-2H3,(H2,21,22)
InChIKeyXRNGQGQMDXUBOX-UHFFFAOYSA-N
XLogP3.34
TPSA60.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

7-[[3-[1-(methylamino)ethyl]phenoxy]methyl]quinolin-2-amine
CID 127035374
7-[[3-[2-[6-(methylamino)-2-pyridinyl]ethyl]phenoxy]methyl]quinolin-2-amine
CID 170195520
3-[2-(dimethylamino)ethoxy]aniline;dihydrochloride
CID 66649609
2-[6-[2-(dimethylamino)ethoxy]acridin-3-yl]oxy-N,N-dimethylethanamine
CID 20553504
2-(3-methoxyphenoxy)-N,N-dimethylethanamine
CID 10081369
2-[3-[2-[3-[2-(dimethylamino)ethoxy]phenyl]ethyl]phenoxy]-N,N-dimethylethanamine
CID 171715455
7-[[5-(methylaminomethyl)-3-pyridinyl]oxymethyl]quinolin-2-amine;trihydrochloride
CID 127034913
2-[(2-aminoquinolin-7-yl)methoxy]ethanol
CID 11378974
7-(2-ethoxyethoxy)quinolin-2-amine
CID 155566988
3-[3-[2-(dimethylamino)ethoxy]phenyl]-N,N-dimethylpropan-1-amine
CID 170866732
N,N-dimethyl-2-(3-phenylphenoxy)ethanamine
CID 14105422
5-[(3-bromophenoxy)methyl]pyridin-2-amine
CID 62193709

Frequently Asked Questions

What is the IUPAC name of 7-[[3-[2-(dimethylamino)ethoxy]phenoxy]methyl]quinolin-2-amine?
The IUPAC name of 7-[[3-[2-(dimethylamino)ethoxy]phenoxy]methyl]quinolin-2-amine (CID 127034804) is 7-[[3-[2-(dimethylamino)ethoxy]phenoxy]methyl]quinolin-2-amine.
What is the SMILES notation for 7-[[3-[2-(dimethylamino)ethoxy]phenoxy]methyl]quinolin-2-amine?
The canonical SMILES for 7-[[3-[2-(dimethylamino)ethoxy]phenoxy]methyl]quinolin-2-amine is CN(C)CCOc1cccc(OCc2ccc3ccc(N)nc3c2)c1.
What is the InChIKey of 7-[[3-[2-(dimethylamino)ethoxy]phenoxy]methyl]quinolin-2-amine?
The InChIKey is XRNGQGQMDXUBOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2/c1-23(2)10-11-24-17-4-3-5-18(13-17)25-14-15-6-7-16-8-9-20(21)22-19(16)12-15/h3-9,12-13H,10-11,14H2,1-2H3,(H2,21,22).
What are the key properties of 7-[[3-[2-(dimethylamino)ethoxy]phenoxy]methyl]quinolin-2-amine?
7-[[3-[2-(dimethylamino)ethoxy]phenoxy]methyl]quinolin-2-amine has a molecular weight of 337.42 g/mol, XLogP of 3.34, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[3-[2-(dimethylamino)ethoxy]phenoxy]methyl]quinolin-2-amine is sourced from PubChem (CID 127034804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).