(2-fluoro-3-methoxyphenyl)-quinolin-5-ylmethanamine

C17H15FN2O — CID 105174775

IUPAC(2-fluoro-3-methoxyphenyl)-quinolin-5-ylmethanamine
SMILESCOc1cccc(C(N)c2cccc3ncccc23)c1F
InChIInChI=1S/C17H15FN2O/c1-21-15-9-3-6-13(16(15)18)17(19)12-5-2-8-14-11(12)7-4-10-20-14/h2-10,17H,19H2,1H3
InChIKeyRMYAJZWKHMCPMI-UHFFFAOYSA-N
MW282.32 g/mol
LogP3.43
Rot. Bonds3

About (2-fluoro-3-methoxyphenyl)-quinolin-5-ylmethanamine

(2-fluoro-3-methoxyphenyl)-quinolin-5-ylmethanamine (PubChem CID 105174775) has the molecular formula C17H15FN2O and a molecular weight of 282.32 g/mol. Its IUPAC name is (2-fluoro-3-methoxyphenyl)-quinolin-5-ylmethanamine.

Molecular Properties

Compound Name(2-fluoro-3-methoxyphenyl)-quinolin-5-ylmethanamine
PubChem CID105174775
Molecular FormulaC17H15FN2O
Molecular Weight282.32 g/mol
Exact Mass282.12
IUPAC Name(2-fluoro-3-methoxyphenyl)-quinolin-5-ylmethanamine
SMILESCOc1cccc(C(N)c2cccc3ncccc23)c1F
InChIInChI=1S/C17H15FN2O/c1-21-15-9-3-6-13(16(15)18)17(19)12-5-2-8-14-11(12)7-4-10-20-14/h2-10,17H,19H2,1H3
InChIKeyRMYAJZWKHMCPMI-UHFFFAOYSA-N
XLogP3.43
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.32
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-fluoro-3-methoxyphenyl)-quinoxalin-5-ylmethanamine
CID 105174708
(2-fluoro-3-methoxyphenyl)-(2-methoxyphenyl)methanamine
CID 82808424
(3-methoxy-4-methylphenyl)-quinolin-5-ylmethanamine
CID 105020144
(4-chloro-3-methoxyphenyl)-quinolin-5-ylmethanamine
CID 105164518
(2-chloro-5-fluorophenyl)-quinolin-5-ylmethanamine
CID 105396959
(2-fluoro-5-methylphenyl)-quinolin-5-ylmethanamine
CID 105020084
(2-fluoro-3-methoxyphenyl)-pyridin-4-ylmethanamine
CID 82807035
(3-chloro-2-fluorophenyl)-(2-fluoro-3-methoxyphenyl)methanamine
CID 82808026
(2,3-dimethoxyphenyl)-(2,3,4-trifluorophenyl)methanamine
CID 82106214
(3,5-difluorophenyl)-quinolin-5-ylmethanamine
CID 81231952
(2-fluoro-3-methoxyphenyl)-pyrimidin-4-ylmethanamine
CID 82807720
(1R)-1-quinolin-5-ylethanamine
CID 55277010

Frequently Asked Questions

What is the IUPAC name of (2-fluoro-3-methoxyphenyl)-quinolin-5-ylmethanamine?
The IUPAC name of (2-fluoro-3-methoxyphenyl)-quinolin-5-ylmethanamine (CID 105174775) is (2-fluoro-3-methoxyphenyl)-quinolin-5-ylmethanamine.
What is the SMILES notation for (2-fluoro-3-methoxyphenyl)-quinolin-5-ylmethanamine?
The canonical SMILES for (2-fluoro-3-methoxyphenyl)-quinolin-5-ylmethanamine is COc1cccc(C(N)c2cccc3ncccc23)c1F.
What is the InChIKey of (2-fluoro-3-methoxyphenyl)-quinolin-5-ylmethanamine?
The InChIKey is RMYAJZWKHMCPMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2O/c1-21-15-9-3-6-13(16(15)18)17(19)12-5-2-8-14-11(12)7-4-10-20-14/h2-10,17H,19H2,1H3.
What are the key properties of (2-fluoro-3-methoxyphenyl)-quinolin-5-ylmethanamine?
(2-fluoro-3-methoxyphenyl)-quinolin-5-ylmethanamine has a molecular weight of 282.32 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluoro-3-methoxyphenyl)-quinolin-5-ylmethanamine is sourced from PubChem (CID 105174775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).