[4-(2-methoxyphenoxy)quinolin-3-yl]methanamine

C17H16N2O2 — CID 43669445

IUPAC[4-(2-methoxyphenoxy)quinolin-3-yl]methanamine
SMILESCOc1ccccc1Oc1c(CN)cnc2ccccc12
InChIInChI=1S/C17H16N2O2/c1-20-15-8-4-5-9-16(15)21-17-12(10-18)11-19-14-7-3-2-6-13(14)17/h2-9,11H,10,18H2,1H3
InChIKeyIEKYGRXKFFMIDA-UHFFFAOYSA-N
MW280.33 g/mol
LogP3.49
Rot. Bonds4

About [4-(2-methoxyphenoxy)quinolin-3-yl]methanamine

[4-(2-methoxyphenoxy)quinolin-3-yl]methanamine (PubChem CID 43669445) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is [4-(2-methoxyphenoxy)quinolin-3-yl]methanamine.

Molecular Properties

Compound Name[4-(2-methoxyphenoxy)quinolin-3-yl]methanamine
PubChem CID43669445
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC Name[4-(2-methoxyphenoxy)quinolin-3-yl]methanamine
SMILESCOc1ccccc1Oc1c(CN)cnc2ccccc12
InChIInChI=1S/C17H16N2O2/c1-20-15-8-4-5-9-16(15)21-17-12(10-18)11-19-14-7-3-2-6-13(14)17/h2-9,11H,10,18H2,1H3
InChIKeyIEKYGRXKFFMIDA-UHFFFAOYSA-N
XLogP3.49
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(2,3-difluorophenoxy)quinolin-3-yl]methanamine
CID 63037258
[4-(2-methoxyphenyl)sulfanylquinolin-3-yl]methanamine
CID 61290357
(4-propan-2-yloxyquinolin-3-yl)methanamine
CID 43669459
2-(3-methoxyquinolin-4-yl)ethanamine
CID 84670749
4-(chloromethyl)-1-(2-methoxyphenoxy)isoquinoline
CID 106769529
[4-[(4-bromophenyl)methoxy]quinolin-3-yl]methanamine
CID 82804822
[4-(2-methoxyethylsulfanyl)quinolin-3-yl]methanamine
CID 43669507
3-(aminomethyl)-N-ethylquinolin-4-amine
CID 62105650
3-(aminomethyl)-N,N-diethylquinolin-4-amine
CID 43669325
[2-(2,6-dimethoxyphenoxy)-4-methylpyrimidin-5-yl]methanamine
CID 83189366
[1-(2-chlorophenoxy)isoquinolin-4-yl]methanamine
CID 106777391
N-[[2-(2-methoxyphenoxy)-3-pyridinyl]methyl]quinolin-4-amine
CID 56707589

Frequently Asked Questions

What is the IUPAC name of [4-(2-methoxyphenoxy)quinolin-3-yl]methanamine?
The IUPAC name of [4-(2-methoxyphenoxy)quinolin-3-yl]methanamine (CID 43669445) is [4-(2-methoxyphenoxy)quinolin-3-yl]methanamine.
What is the SMILES notation for [4-(2-methoxyphenoxy)quinolin-3-yl]methanamine?
The canonical SMILES for [4-(2-methoxyphenoxy)quinolin-3-yl]methanamine is COc1ccccc1Oc1c(CN)cnc2ccccc12.
What is the InChIKey of [4-(2-methoxyphenoxy)quinolin-3-yl]methanamine?
The InChIKey is IEKYGRXKFFMIDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2/c1-20-15-8-4-5-9-16(15)21-17-12(10-18)11-19-14-7-3-2-6-13(14)17/h2-9,11H,10,18H2,1H3.
What are the key properties of [4-(2-methoxyphenoxy)quinolin-3-yl]methanamine?
[4-(2-methoxyphenoxy)quinolin-3-yl]methanamine has a molecular weight of 280.33 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-methoxyphenoxy)quinolin-3-yl]methanamine is sourced from PubChem (CID 43669445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).