[2-(3-iodophenoxy)quinolin-3-yl]methanamine

C16H13IN2O — CID 43327394

IUPAC[2-(3-iodophenoxy)quinolin-3-yl]methanamine
SMILESNCc1cc2ccccc2nc1Oc1cccc(I)c1
InChIInChI=1S/C16H13IN2O/c17-13-5-3-6-14(9-13)20-16-12(10-18)8-11-4-1-2-7-15(11)19-16/h1-9H,10,18H2
InChIKeyYMBDHFCCKWCYOM-UHFFFAOYSA-N
MW376.20 g/mol
LogP4.09
Rot. Bonds3

About [2-(3-iodophenoxy)quinolin-3-yl]methanamine

[2-(3-iodophenoxy)quinolin-3-yl]methanamine (PubChem CID 43327394) has the molecular formula C16H13IN2O and a molecular weight of 376.20 g/mol. Its IUPAC name is [2-(3-iodophenoxy)quinolin-3-yl]methanamine.

Molecular Properties

Compound Name[2-(3-iodophenoxy)quinolin-3-yl]methanamine
PubChem CID43327394
Molecular FormulaC16H13IN2O
Molecular Weight376.20 g/mol
Exact Mass376.01
IUPAC Name[2-(3-iodophenoxy)quinolin-3-yl]methanamine
SMILESNCc1cc2ccccc2nc1Oc1cccc(I)c1
InChIInChI=1S/C16H13IN2O/c17-13-5-3-6-14(9-13)20-16-12(10-18)8-11-4-1-2-7-15(11)19-16/h1-9H,10,18H2
InChIKeyYMBDHFCCKWCYOM-UHFFFAOYSA-N
XLogP4.09
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.20
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

[2-(4-fluorophenoxy)quinolin-3-yl]methanamine
CID 28966185
[2-(4-methylsulfanylphenoxy)quinolin-3-yl]methanamine
CID 63648716
[2-[(6-methyl-3-pyridinyl)oxy]quinolin-3-yl]methanamine
CID 62073251
[2-(2,4-dibromophenoxy)quinolin-3-yl]methanamine
CID 64718621
[2-(2,4-difluorophenoxy)quinolin-3-yl]methanamine
CID 28965955
2-[2-(4-chlorophenoxy)quinolin-3-yl]ethanamine
CID 63804294
[2-(2-fluoro-5-methylphenoxy)quinolin-3-yl]methanamine
CID 64854395
[2-(2-bromo-4-fluorophenoxy)quinolin-3-yl]methanamine
CID 28965989
[3-(aminomethyl)quinolin-2-yl]methanol
CID 25170623
[2-(2-cyclopropylethoxy)quinolin-3-yl]methanamine
CID 106199465
[4-[3-(hydroxymethyl)quinolin-2-yl]oxyphenyl]methanol
CID 61229145
(2-chloroquinolin-3-yl)methanamine
CID 71748539

Frequently Asked Questions

What is the IUPAC name of [2-(3-iodophenoxy)quinolin-3-yl]methanamine?
The IUPAC name of [2-(3-iodophenoxy)quinolin-3-yl]methanamine (CID 43327394) is [2-(3-iodophenoxy)quinolin-3-yl]methanamine.
What is the SMILES notation for [2-(3-iodophenoxy)quinolin-3-yl]methanamine?
The canonical SMILES for [2-(3-iodophenoxy)quinolin-3-yl]methanamine is NCc1cc2ccccc2nc1Oc1cccc(I)c1.
What is the InChIKey of [2-(3-iodophenoxy)quinolin-3-yl]methanamine?
The InChIKey is YMBDHFCCKWCYOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13IN2O/c17-13-5-3-6-14(9-13)20-16-12(10-18)8-11-4-1-2-7-15(11)19-16/h1-9H,10,18H2.
What are the key properties of [2-(3-iodophenoxy)quinolin-3-yl]methanamine?
[2-(3-iodophenoxy)quinolin-3-yl]methanamine has a molecular weight of 376.20 g/mol, XLogP of 4.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-iodophenoxy)quinolin-3-yl]methanamine is sourced from PubChem (CID 43327394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).