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

C18H19N3O — CID 91971384

IUPAC7-[[3-(methylaminomethyl)phenoxy]methyl]quinolin-2-amine
SMILESCNCc1cccc(OCc2ccc3ccc(N)nc3c2)c1
InChIInChI=1S/C18H19N3O/c1-20-11-13-3-2-4-16(9-13)22-12-14-5-6-15-7-8-18(19)21-17(15)10-14/h2-10,20H,11-12H2,1H3,(H2,19,21)
InChIKeyQFZGTQOWVVISDX-UHFFFAOYSA-N
MW293.37 g/mol
LogP3.12
Rot. Bonds5

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

7-[[3-(methylaminomethyl)phenoxy]methyl]quinolin-2-amine (PubChem CID 91971384) has the molecular formula C18H19N3O and a molecular weight of 293.37 g/mol. Its IUPAC name is 7-[[3-(methylaminomethyl)phenoxy]methyl]quinolin-2-amine.

Molecular Properties

Compound Name7-[[3-(methylaminomethyl)phenoxy]methyl]quinolin-2-amine
PubChem CID91971384
Molecular FormulaC18H19N3O
Molecular Weight293.37 g/mol
Exact Mass293.15
IUPAC Name7-[[3-(methylaminomethyl)phenoxy]methyl]quinolin-2-amine
SMILESCNCc1cccc(OCc2ccc3ccc(N)nc3c2)c1
InChIInChI=1S/C18H19N3O/c1-20-11-13-3-2-4-16(9-13)22-12-14-5-6-15-7-8-18(19)21-17(15)10-14/h2-10,20H,11-12H2,1H3,(H2,19,21)
InChIKeyQFZGTQOWVVISDX-UHFFFAOYSA-N
XLogP3.12
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-[[3-(methylaminomethyl)phenoxy]methyl]quinolin-2-amine?
The IUPAC name of 7-[[3-(methylaminomethyl)phenoxy]methyl]quinolin-2-amine (CID 91971384) is 7-[[3-(methylaminomethyl)phenoxy]methyl]quinolin-2-amine.
What is the SMILES notation for 7-[[3-(methylaminomethyl)phenoxy]methyl]quinolin-2-amine?
The canonical SMILES for 7-[[3-(methylaminomethyl)phenoxy]methyl]quinolin-2-amine is CNCc1cccc(OCc2ccc3ccc(N)nc3c2)c1.
What is the InChIKey of 7-[[3-(methylaminomethyl)phenoxy]methyl]quinolin-2-amine?
The InChIKey is QFZGTQOWVVISDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O/c1-20-11-13-3-2-4-16(9-13)22-12-14-5-6-15-7-8-18(19)21-17(15)10-14/h2-10,20H,11-12H2,1H3,(H2,19,21).
What are the key properties of 7-[[3-(methylaminomethyl)phenoxy]methyl]quinolin-2-amine?
7-[[3-(methylaminomethyl)phenoxy]methyl]quinolin-2-amine has a molecular weight of 293.37 g/mol, XLogP of 3.12, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[3-(methylaminomethyl)phenoxy]methyl]quinolin-2-amine is sourced from PubChem (CID 91971384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).