1-[3-fluoro-4-[(5-methyl-3-pyridinyl)methoxy]phenyl]propan-2-amine

C16H19FN2O — CID 107692930

IUPAC1-[3-fluoro-4-[(5-methyl-3-pyridinyl)methoxy]phenyl]propan-2-amine
SMILESCc1cncc(COc2ccc(CC(C)N)cc2F)c1
InChIInChI=1S/C16H19FN2O/c1-11-5-14(9-19-8-11)10-20-16-4-3-13(6-12(2)18)7-15(16)17/h3-5,7-9,12H,6,10,18H2,1-2H3
InChIKeyODWMRJSZYWSBTP-UHFFFAOYSA-N
MW274.34 g/mol
LogP3.00
Rot. Bonds5

About 1-[3-fluoro-4-[(5-methyl-3-pyridinyl)methoxy]phenyl]propan-2-amine

1-[3-fluoro-4-[(5-methyl-3-pyridinyl)methoxy]phenyl]propan-2-amine (PubChem CID 107692930) has the molecular formula C16H19FN2O and a molecular weight of 274.34 g/mol. Its IUPAC name is 1-[3-fluoro-4-[(5-methyl-3-pyridinyl)methoxy]phenyl]propan-2-amine.

Molecular Properties

Compound Name1-[3-fluoro-4-[(5-methyl-3-pyridinyl)methoxy]phenyl]propan-2-amine
PubChem CID107692930
Molecular FormulaC16H19FN2O
Molecular Weight274.34 g/mol
Exact Mass274.15
IUPAC Name1-[3-fluoro-4-[(5-methyl-3-pyridinyl)methoxy]phenyl]propan-2-amine
SMILESCc1cncc(COc2ccc(CC(C)N)cc2F)c1
InChIInChI=1S/C16H19FN2O/c1-11-5-14(9-19-8-11)10-20-16-4-3-13(6-12(2)18)7-15(16)17/h3-5,7-9,12H,6,10,18H2,1-2H3
InChIKeyODWMRJSZYWSBTP-UHFFFAOYSA-N
XLogP3.00
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.34
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-methoxy-3-[(5-methyl-3-pyridinyl)methoxy]phenyl]propan-2-amine
CID 102878176
(1R)-1-[3-fluoro-4-[(5-methyl-3-pyridinyl)methoxy]phenyl]ethanol
CID 102881645
1-(3-fluoro-4-phenylmethoxyphenyl)propan-2-amine
CID 23037612
1-[3-fluoro-2-[(5-methyl-3-pyridinyl)methoxy]phenyl]propan-2-amine
CID 102878226
1-[4-[(5-bromo-3-pyridinyl)methoxy]-3-fluorophenyl]butan-2-amine
CID 107693394
1-[3-fluoro-4-[(3-methyl-2-pyridinyl)methoxy]phenyl]propan-2-amine
CID 107692926
1-[3-fluoro-4-(pyridin-2-ylmethoxy)phenyl]propan-2-amine
CID 107693096
(1R)-1-[5-chloro-2-[(5-methyl-3-pyridinyl)methoxy]phenyl]ethanamine
CID 102880442
1-[3-fluoro-4-(1,3-thiazol-4-ylmethoxy)phenyl]propan-2-amine
CID 107693106
1-[3-fluoro-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]propan-2-amine
CID 107693169
1-[2-fluoro-4-[(5-methyl-3-pyridinyl)methoxy]phenyl]ethanamine
CID 107715801
(1S)-1-[2-fluoro-4-[(5-methyl-3-pyridinyl)methoxy]phenyl]ethanamine
CID 107718705

Frequently Asked Questions

What is the IUPAC name of 1-[3-fluoro-4-[(5-methyl-3-pyridinyl)methoxy]phenyl]propan-2-amine?
The IUPAC name of 1-[3-fluoro-4-[(5-methyl-3-pyridinyl)methoxy]phenyl]propan-2-amine (CID 107692930) is 1-[3-fluoro-4-[(5-methyl-3-pyridinyl)methoxy]phenyl]propan-2-amine.
What is the SMILES notation for 1-[3-fluoro-4-[(5-methyl-3-pyridinyl)methoxy]phenyl]propan-2-amine?
The canonical SMILES for 1-[3-fluoro-4-[(5-methyl-3-pyridinyl)methoxy]phenyl]propan-2-amine is Cc1cncc(COc2ccc(CC(C)N)cc2F)c1.
What is the InChIKey of 1-[3-fluoro-4-[(5-methyl-3-pyridinyl)methoxy]phenyl]propan-2-amine?
The InChIKey is ODWMRJSZYWSBTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2O/c1-11-5-14(9-19-8-11)10-20-16-4-3-13(6-12(2)18)7-15(16)17/h3-5,7-9,12H,6,10,18H2,1-2H3.
What are the key properties of 1-[3-fluoro-4-[(5-methyl-3-pyridinyl)methoxy]phenyl]propan-2-amine?
1-[3-fluoro-4-[(5-methyl-3-pyridinyl)methoxy]phenyl]propan-2-amine has a molecular weight of 274.34 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-fluoro-4-[(5-methyl-3-pyridinyl)methoxy]phenyl]propan-2-amine is sourced from PubChem (CID 107692930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).