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

C17H17N3O — CID 91971385

IUPAC7-[[3-(aminomethyl)phenoxy]methyl]quinolin-2-amine
SMILESNCc1cccc(OCc2ccc3ccc(N)nc3c2)c1
InChIInChI=1S/C17H17N3O/c18-10-12-2-1-3-15(8-12)21-11-13-4-5-14-6-7-17(19)20-16(14)9-13/h1-9H,10-11,18H2,(H2,19,20)
InChIKeyADYDYORVGGQJTJ-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.85
Rot. Bonds4

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

7-[[3-(aminomethyl)phenoxy]methyl]quinolin-2-amine (PubChem CID 91971385) has the molecular formula C17H17N3O and a molecular weight of 279.34 g/mol. Its IUPAC name is 7-[[3-(aminomethyl)phenoxy]methyl]quinolin-2-amine.

Molecular Properties

Compound Name7-[[3-(aminomethyl)phenoxy]methyl]quinolin-2-amine
PubChem CID91971385
Molecular FormulaC17H17N3O
Molecular Weight279.34 g/mol
Exact Mass279.14
IUPAC Name7-[[3-(aminomethyl)phenoxy]methyl]quinolin-2-amine
SMILESNCc1cccc(OCc2ccc3ccc(N)nc3c2)c1
InChIInChI=1S/C17H17N3O/c18-10-12-2-1-3-15(8-12)21-11-13-4-5-14-6-7-17(19)20-16(14)9-13/h1-9H,10-11,18H2,(H2,19,20)
InChIKeyADYDYORVGGQJTJ-UHFFFAOYSA-N
XLogP2.85
TPSA74.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-[[3-(aminomethyl)phenoxy]methyl]quinolin-2-amine?
The IUPAC name of 7-[[3-(aminomethyl)phenoxy]methyl]quinolin-2-amine (CID 91971385) is 7-[[3-(aminomethyl)phenoxy]methyl]quinolin-2-amine.
What is the SMILES notation for 7-[[3-(aminomethyl)phenoxy]methyl]quinolin-2-amine?
The canonical SMILES for 7-[[3-(aminomethyl)phenoxy]methyl]quinolin-2-amine is NCc1cccc(OCc2ccc3ccc(N)nc3c2)c1.
What is the InChIKey of 7-[[3-(aminomethyl)phenoxy]methyl]quinolin-2-amine?
The InChIKey is ADYDYORVGGQJTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O/c18-10-12-2-1-3-15(8-12)21-11-13-4-5-14-6-7-17(19)20-16(14)9-13/h1-9H,10-11,18H2,(H2,19,20).
What are the key properties of 7-[[3-(aminomethyl)phenoxy]methyl]quinolin-2-amine?
7-[[3-(aminomethyl)phenoxy]methyl]quinolin-2-amine has a molecular weight of 279.34 g/mol, XLogP of 2.85, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[3-(aminomethyl)phenoxy]methyl]quinolin-2-amine is sourced from PubChem (CID 91971385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).