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

C20H23N3O — CID 91971381

IUPAC7-[[3-[2-(dimethylamino)ethyl]phenoxy]methyl]quinolin-2-amine
SMILESCN(C)CCc1cccc(OCc2ccc3ccc(N)nc3c2)c1
InChIInChI=1S/C20H23N3O/c1-23(2)11-10-15-4-3-5-18(12-15)24-14-16-6-7-17-8-9-20(21)22-19(17)13-16/h3-9,12-13H,10-11,14H2,1-2H3,(H2,21,22)
InChIKeyTTZAIJYOUAIUID-UHFFFAOYSA-N
MW321.42 g/mol
LogP3.50
Rot. Bonds6

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

7-[[3-[2-(dimethylamino)ethyl]phenoxy]methyl]quinolin-2-amine (PubChem CID 91971381) has the molecular formula C20H23N3O and a molecular weight of 321.42 g/mol. Its IUPAC name is 7-[[3-[2-(dimethylamino)ethyl]phenoxy]methyl]quinolin-2-amine.

Molecular Properties

Compound Name7-[[3-[2-(dimethylamino)ethyl]phenoxy]methyl]quinolin-2-amine
PubChem CID91971381
Molecular FormulaC20H23N3O
Molecular Weight321.42 g/mol
Exact Mass321.18
IUPAC Name7-[[3-[2-(dimethylamino)ethyl]phenoxy]methyl]quinolin-2-amine
SMILESCN(C)CCc1cccc(OCc2ccc3ccc(N)nc3c2)c1
InChIInChI=1S/C20H23N3O/c1-23(2)11-10-15-4-3-5-18(12-15)24-14-16-6-7-17-8-9-20(21)22-19(17)13-16/h3-9,12-13H,10-11,14H2,1-2H3,(H2,21,22)
InChIKeyTTZAIJYOUAIUID-UHFFFAOYSA-N
XLogP3.50
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-[[3-[2-(dimethylamino)ethyl]phenoxy]methyl]quinolin-2-amine?
The IUPAC name of 7-[[3-[2-(dimethylamino)ethyl]phenoxy]methyl]quinolin-2-amine (CID 91971381) is 7-[[3-[2-(dimethylamino)ethyl]phenoxy]methyl]quinolin-2-amine.
What is the SMILES notation for 7-[[3-[2-(dimethylamino)ethyl]phenoxy]methyl]quinolin-2-amine?
The canonical SMILES for 7-[[3-[2-(dimethylamino)ethyl]phenoxy]methyl]quinolin-2-amine is CN(C)CCc1cccc(OCc2ccc3ccc(N)nc3c2)c1.
What is the InChIKey of 7-[[3-[2-(dimethylamino)ethyl]phenoxy]methyl]quinolin-2-amine?
The InChIKey is TTZAIJYOUAIUID-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O/c1-23(2)11-10-15-4-3-5-18(12-15)24-14-16-6-7-17-8-9-20(21)22-19(17)13-16/h3-9,12-13H,10-11,14H2,1-2H3,(H2,21,22).
What are the key properties of 7-[[3-[2-(dimethylamino)ethyl]phenoxy]methyl]quinolin-2-amine?
7-[[3-[2-(dimethylamino)ethyl]phenoxy]methyl]quinolin-2-amine has a molecular weight of 321.42 g/mol, XLogP of 3.50, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[3-[2-(dimethylamino)ethyl]phenoxy]methyl]quinolin-2-amine is sourced from PubChem (CID 91971381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).