(5-fluoro-3-pyridinyl)-(3-propoxyphenyl)methanamine

C15H17FN2O — CID 115804729

IUPAC(5-fluoro-3-pyridinyl)-(3-propoxyphenyl)methanamine
SMILESCCCOc1cccc(C(N)c2cncc(F)c2)c1
InChIInChI=1S/C15H17FN2O/c1-2-6-19-14-5-3-4-11(8-14)15(17)12-7-13(16)10-18-9-12/h3-5,7-10,15H,2,6,17H2,1H3
InChIKeyYBQXLEVSKCPHEE-UHFFFAOYSA-N
MW260.31 g/mol
LogP3.06
Rot. Bonds5

About (5-fluoro-3-pyridinyl)-(3-propoxyphenyl)methanamine

(5-fluoro-3-pyridinyl)-(3-propoxyphenyl)methanamine (PubChem CID 115804729) has the molecular formula C15H17FN2O and a molecular weight of 260.31 g/mol. Its IUPAC name is (5-fluoro-3-pyridinyl)-(3-propoxyphenyl)methanamine.

Molecular Properties

Compound Name(5-fluoro-3-pyridinyl)-(3-propoxyphenyl)methanamine
PubChem CID115804729
Molecular FormulaC15H17FN2O
Molecular Weight260.31 g/mol
Exact Mass260.13
IUPAC Name(5-fluoro-3-pyridinyl)-(3-propoxyphenyl)methanamine
SMILESCCCOc1cccc(C(N)c2cncc(F)c2)c1
InChIInChI=1S/C15H17FN2O/c1-2-6-19-14-5-3-4-11(8-14)15(17)12-7-13(16)10-18-9-12/h3-5,7-10,15H,2,6,17H2,1H3
InChIKeyYBQXLEVSKCPHEE-UHFFFAOYSA-N
XLogP3.06
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.31
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5-fluoro-3-pyridinyl)-(4-propoxyphenyl)methanamine
CID 105144279
(3,4-difluorophenyl)-(3-propoxyphenyl)methanamine
CID 62920523
(3-propoxyphenyl)-(3-propylphenyl)methanamine
CID 105050359
(3-ethoxyphenyl)-(3-fluorophenyl)methanamine
CID 60798040
[(3-fluorophenyl)-(5-propoxy-3-pyridinyl)methyl]hydrazine
CID 105193158
(2,3-difluorophenyl)-(3-propoxyphenyl)methanamine
CID 115861923
(1R)-1-(3-propoxyphenyl)ethane-1,2-diamine
CID 66516554
(3-propoxyphenyl)-(1,3-thiazol-2-yl)methanamine
CID 62499480
1-(5-methoxy-3-pyridinyl)-N-methyl-1-(3-propoxyphenyl)methanamine
CID 105025977
(4-bromo-3,5-dimethylphenyl)-(5-propoxy-3-pyridinyl)methanamine
CID 114330234
(2,5-dimethylfuran-3-yl)-(3-propoxyphenyl)methanamine
CID 62919680
(5-chlorothiophen-2-yl)-(3-propoxyphenyl)methanamine
CID 62921378

Frequently Asked Questions

What is the IUPAC name of (5-fluoro-3-pyridinyl)-(3-propoxyphenyl)methanamine?
The IUPAC name of (5-fluoro-3-pyridinyl)-(3-propoxyphenyl)methanamine (CID 115804729) is (5-fluoro-3-pyridinyl)-(3-propoxyphenyl)methanamine.
What is the SMILES notation for (5-fluoro-3-pyridinyl)-(3-propoxyphenyl)methanamine?
The canonical SMILES for (5-fluoro-3-pyridinyl)-(3-propoxyphenyl)methanamine is CCCOc1cccc(C(N)c2cncc(F)c2)c1.
What is the InChIKey of (5-fluoro-3-pyridinyl)-(3-propoxyphenyl)methanamine?
The InChIKey is YBQXLEVSKCPHEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O/c1-2-6-19-14-5-3-4-11(8-14)15(17)12-7-13(16)10-18-9-12/h3-5,7-10,15H,2,6,17H2,1H3.
What are the key properties of (5-fluoro-3-pyridinyl)-(3-propoxyphenyl)methanamine?
(5-fluoro-3-pyridinyl)-(3-propoxyphenyl)methanamine has a molecular weight of 260.31 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-3-pyridinyl)-(3-propoxyphenyl)methanamine is sourced from PubChem (CID 115804729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).