[2-(2-methylphenoxy)quinolin-4-yl]methanamine

C17H16N2O — CID 62296104

IUPAC[2-(2-methylphenoxy)quinolin-4-yl]methanamine
SMILESCc1ccccc1Oc1cc(CN)c2ccccc2n1
InChIInChI=1S/C17H16N2O/c1-12-6-2-5-9-16(12)20-17-10-13(11-18)14-7-3-4-8-15(14)19-17/h2-10H,11,18H2,1H3
InChIKeyFIAXYPINKAHGOC-UHFFFAOYSA-N
MW264.33 g/mol
LogP3.79
Rot. Bonds3

About [2-(2-methylphenoxy)quinolin-4-yl]methanamine

[2-(2-methylphenoxy)quinolin-4-yl]methanamine (PubChem CID 62296104) has the molecular formula C17H16N2O and a molecular weight of 264.33 g/mol. Its IUPAC name is [2-(2-methylphenoxy)quinolin-4-yl]methanamine.

Molecular Properties

Compound Name[2-(2-methylphenoxy)quinolin-4-yl]methanamine
PubChem CID62296104
Molecular FormulaC17H16N2O
Molecular Weight264.33 g/mol
Exact Mass264.13
IUPAC Name[2-(2-methylphenoxy)quinolin-4-yl]methanamine
SMILESCc1ccccc1Oc1cc(CN)c2ccccc2n1
InChIInChI=1S/C17H16N2O/c1-12-6-2-5-9-16(12)20-17-10-13(11-18)14-7-3-4-8-15(14)19-17/h2-10H,11,18H2,1H3
InChIKeyFIAXYPINKAHGOC-UHFFFAOYSA-N
XLogP3.79
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-[2-(2-methylphenoxy)quinolin-4-yl]methanamine
CID 62298208
4-(chloromethyl)-2-(2,3-dimethylphenoxy)quinoline
CID 63446236
[2-(4-methylsulfanylphenoxy)quinolin-4-yl]methanamine
CID 63647372
4-(2-methylphenoxy)quinazolin-2-amine
CID 80869397
[4-(2,3-dimethylphenoxy)quinolin-2-yl]methanamine
CID 63377413
(2-methylquinolin-4-yl)methanamine;dihydrochloride
CID 42946478
(2-but-2-enoxyquinolin-4-yl)methanamine
CID 76938383
[2-(1-propan-2-ylpyrazol-4-yl)oxyquinolin-4-yl]methanamine
CID 116800179
4-(chloromethyl)-2-(2-chlorophenoxy)quinoline
CID 63446022
[2-(2-methylsulfanylphenoxy)quinolin-4-yl]methanol
CID 63648216
4-(aminomethyl)-N,N-dimethylquinolin-2-amine
CID 56828443
2-(2-bromophenoxy)-4-(chloromethyl)quinoline
CID 63446400

Frequently Asked Questions

What is the IUPAC name of [2-(2-methylphenoxy)quinolin-4-yl]methanamine?
The IUPAC name of [2-(2-methylphenoxy)quinolin-4-yl]methanamine (CID 62296104) is [2-(2-methylphenoxy)quinolin-4-yl]methanamine.
What is the SMILES notation for [2-(2-methylphenoxy)quinolin-4-yl]methanamine?
The canonical SMILES for [2-(2-methylphenoxy)quinolin-4-yl]methanamine is Cc1ccccc1Oc1cc(CN)c2ccccc2n1.
What is the InChIKey of [2-(2-methylphenoxy)quinolin-4-yl]methanamine?
The InChIKey is FIAXYPINKAHGOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O/c1-12-6-2-5-9-16(12)20-17-10-13(11-18)14-7-3-4-8-15(14)19-17/h2-10H,11,18H2,1H3.
What are the key properties of [2-(2-methylphenoxy)quinolin-4-yl]methanamine?
[2-(2-methylphenoxy)quinolin-4-yl]methanamine has a molecular weight of 264.33 g/mol, XLogP of 3.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methylphenoxy)quinolin-4-yl]methanamine is sourced from PubChem (CID 62296104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).