(5-fluoro-3-pyridinyl)-(4-propoxyphenyl)methanamine

C15H17FN2O — CID 105144279

IUPAC(5-fluoro-3-pyridinyl)-(4-propoxyphenyl)methanamine
SMILESCCCOc1ccc(C(N)c2cncc(F)c2)cc1
InChIInChI=1S/C15H17FN2O/c1-2-7-19-14-5-3-11(4-6-14)15(17)12-8-13(16)10-18-9-12/h3-6,8-10,15H,2,7,17H2,1H3
InChIKeyGNILXLGZDTXPNK-UHFFFAOYSA-N
MW260.31 g/mol
LogP3.06
Rot. Bonds5

About (5-fluoro-3-pyridinyl)-(4-propoxyphenyl)methanamine

(5-fluoro-3-pyridinyl)-(4-propoxyphenyl)methanamine (PubChem CID 105144279) has the molecular formula C15H17FN2O and a molecular weight of 260.31 g/mol. Its IUPAC name is (5-fluoro-3-pyridinyl)-(4-propoxyphenyl)methanamine.

Molecular Properties

Compound Name(5-fluoro-3-pyridinyl)-(4-propoxyphenyl)methanamine
PubChem CID105144279
Molecular FormulaC15H17FN2O
Molecular Weight260.31 g/mol
Exact Mass260.13
IUPAC Name(5-fluoro-3-pyridinyl)-(4-propoxyphenyl)methanamine
SMILESCCCOc1ccc(C(N)c2cncc(F)c2)cc1
InChIInChI=1S/C15H17FN2O/c1-2-7-19-14-5-3-11(4-6-14)15(17)12-8-13(16)10-18-9-12/h3-6,8-10,15H,2,7,17H2,1H3
InChIKeyGNILXLGZDTXPNK-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)-(3-propoxyphenyl)methanamine
CID 115804729
(3,4-difluorophenyl)-(4-propoxyphenyl)methanamine
CID 62796286
(5-fluoro-3-pyridinyl)-[4-(trifluoromethoxy)phenyl]methanamine
CID 115804926
(4-fluoro-3-methylphenyl)-(4-propoxyphenyl)methanamine
CID 62795607
(4-methoxyphenyl)-(4-propoxyphenyl)methanamine
CID 62796455
(3,5-dimethylphenyl)-(4-propoxyphenyl)methanamine
CID 115853243
[(4-ethoxyphenyl)-(5-fluoro-3-pyridinyl)methyl]hydrazine
CID 105288044
(5-fluoro-3-pyridinyl)-(4-methylsulfonylphenyl)methanamine
CID 115804928
(4-bromo-3,5-dimethylphenyl)-(5-propoxy-3-pyridinyl)methanamine
CID 114330234
(5-iodothiophen-3-yl)-(4-propoxyphenyl)methanamine
CID 115853519
(4-butoxyphenyl)-(4-methylphenyl)methanamine
CID 105092574
1-(4-propoxyphenyl)propan-1-amine
CID 16783118

Frequently Asked Questions

What is the IUPAC name of (5-fluoro-3-pyridinyl)-(4-propoxyphenyl)methanamine?
The IUPAC name of (5-fluoro-3-pyridinyl)-(4-propoxyphenyl)methanamine (CID 105144279) is (5-fluoro-3-pyridinyl)-(4-propoxyphenyl)methanamine.
What is the SMILES notation for (5-fluoro-3-pyridinyl)-(4-propoxyphenyl)methanamine?
The canonical SMILES for (5-fluoro-3-pyridinyl)-(4-propoxyphenyl)methanamine is CCCOc1ccc(C(N)c2cncc(F)c2)cc1.
What is the InChIKey of (5-fluoro-3-pyridinyl)-(4-propoxyphenyl)methanamine?
The InChIKey is GNILXLGZDTXPNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O/c1-2-7-19-14-5-3-11(4-6-14)15(17)12-8-13(16)10-18-9-12/h3-6,8-10,15H,2,7,17H2,1H3.
What are the key properties of (5-fluoro-3-pyridinyl)-(4-propoxyphenyl)methanamine?
(5-fluoro-3-pyridinyl)-(4-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)-(4-propoxyphenyl)methanamine is sourced from PubChem (CID 105144279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).