[4-(4-chloro-3-fluorophenoxy)quinolin-2-yl]methanamine

C16H12ClFN2O — CID 82718575

IUPAC[4-(4-chloro-3-fluorophenoxy)quinolin-2-yl]methanamine
SMILESNCc1cc(Oc2ccc(Cl)c(F)c2)c2ccccc2n1
InChIInChI=1S/C16H12ClFN2O/c17-13-6-5-11(8-14(13)18)21-16-7-10(9-19)20-15-4-2-1-3-12(15)16/h1-8H,9,19H2
InChIKeyIHEUPTWLZLWSRV-UHFFFAOYSA-N
MW302.74 g/mol
LogP4.28
Rot. Bonds3

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

[4-(4-chloro-3-fluorophenoxy)quinolin-2-yl]methanamine (PubChem CID 82718575) has the molecular formula C16H12ClFN2O and a molecular weight of 302.74 g/mol. Its IUPAC name is [4-(4-chloro-3-fluorophenoxy)quinolin-2-yl]methanamine.

Molecular Properties

Compound Name[4-(4-chloro-3-fluorophenoxy)quinolin-2-yl]methanamine
PubChem CID82718575
Molecular FormulaC16H12ClFN2O
Molecular Weight302.74 g/mol
Exact Mass302.06
IUPAC Name[4-(4-chloro-3-fluorophenoxy)quinolin-2-yl]methanamine
SMILESNCc1cc(Oc2ccc(Cl)c(F)c2)c2ccccc2n1
InChIInChI=1S/C16H12ClFN2O/c17-13-6-5-11(8-14(13)18)21-16-7-10(9-19)20-15-4-2-1-3-12(15)16/h1-8H,9,19H2
InChIKeyIHEUPTWLZLWSRV-UHFFFAOYSA-N
XLogP4.28
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.74
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(3,4-dichlorophenoxy)quinolin-2-yl]methanamine
CID 63377726
[4-(4-bromo-3-fluorophenoxy)quinolin-2-yl]methanamine
CID 65201195
[4-(2,5-dichlorophenoxy)quinolin-2-yl]methanamine
CID 63377411
[4-(3,4-dimethylphenoxy)quinolin-2-yl]methanamine
CID 63377590
[4-[4-(trifluoromethyl)phenoxy]quinolin-2-yl]methanamine
CID 135373987
[4-(2-bromo-4-chlorophenoxy)quinolin-2-yl]methanamine
CID 63377591
[4-(4-chloro-3-fluorophenoxy)quinazolin-2-yl]hydrazine
CID 82719515
2-(chloromethyl)-4-(2,5-dichlorophenoxy)quinoline
CID 63446146
2-(chloromethyl)-4-(4-iodophenoxy)quinoline
CID 63446807
2-[(4-chloro-3-fluorophenoxy)methyl]quinoline
CID 82727045
[4-(2,3-dimethylphenoxy)quinolin-2-yl]methanamine
CID 63377413
4-(4-chloro-3-fluorophenoxy)quinolin-8-amine
CID 83060401

Frequently Asked Questions

What is the IUPAC name of [4-(4-chloro-3-fluorophenoxy)quinolin-2-yl]methanamine?
The IUPAC name of [4-(4-chloro-3-fluorophenoxy)quinolin-2-yl]methanamine (CID 82718575) is [4-(4-chloro-3-fluorophenoxy)quinolin-2-yl]methanamine.
What is the SMILES notation for [4-(4-chloro-3-fluorophenoxy)quinolin-2-yl]methanamine?
The canonical SMILES for [4-(4-chloro-3-fluorophenoxy)quinolin-2-yl]methanamine is NCc1cc(Oc2ccc(Cl)c(F)c2)c2ccccc2n1.
What is the InChIKey of [4-(4-chloro-3-fluorophenoxy)quinolin-2-yl]methanamine?
The InChIKey is IHEUPTWLZLWSRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClFN2O/c17-13-6-5-11(8-14(13)18)21-16-7-10(9-19)20-15-4-2-1-3-12(15)16/h1-8H,9,19H2.
What are the key properties of [4-(4-chloro-3-fluorophenoxy)quinolin-2-yl]methanamine?
[4-(4-chloro-3-fluorophenoxy)quinolin-2-yl]methanamine has a molecular weight of 302.74 g/mol, XLogP of 4.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-chloro-3-fluorophenoxy)quinolin-2-yl]methanamine is sourced from PubChem (CID 82718575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).