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

C17H21FN2O — CID 107701306

IUPAC1-[5-fluoro-2-[(3-methyl-2-pyridinyl)methoxy]phenyl]butan-2-amine
SMILESCCC(N)Cc1cc(F)ccc1OCc1ncccc1C
InChIInChI=1S/C17H21FN2O/c1-3-15(19)10-13-9-14(18)6-7-17(13)21-11-16-12(2)5-4-8-20-16/h4-9,15H,3,10-11,19H2,1-2H3
InChIKeyALBQVEROJAIKQD-UHFFFAOYSA-N
MW288.37 g/mol
LogP3.39
Rot. Bonds6

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

1-[5-fluoro-2-[(3-methyl-2-pyridinyl)methoxy]phenyl]butan-2-amine (PubChem CID 107701306) has the molecular formula C17H21FN2O and a molecular weight of 288.37 g/mol. Its IUPAC name is 1-[5-fluoro-2-[(3-methyl-2-pyridinyl)methoxy]phenyl]butan-2-amine.

Molecular Properties

Compound Name1-[5-fluoro-2-[(3-methyl-2-pyridinyl)methoxy]phenyl]butan-2-amine
PubChem CID107701306
Molecular FormulaC17H21FN2O
Molecular Weight288.37 g/mol
Exact Mass288.16
IUPAC Name1-[5-fluoro-2-[(3-methyl-2-pyridinyl)methoxy]phenyl]butan-2-amine
SMILESCCC(N)Cc1cc(F)ccc1OCc1ncccc1C
InChIInChI=1S/C17H21FN2O/c1-3-15(19)10-13-9-14(18)6-7-17(13)21-11-16-12(2)5-4-8-20-16/h4-9,15H,3,10-11,19H2,1-2H3
InChIKeyALBQVEROJAIKQD-UHFFFAOYSA-N
XLogP3.39
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-fluoro-4-[(3-methyl-2-pyridinyl)methoxy]phenyl]propan-2-amine
CID 107692926
1-(5-fluoro-2-propoxyphenyl)butan-2-amine;hydrochloride
CID 170890525
1-[3-chloro-2-[(3-methyl-2-pyridinyl)methoxy]phenyl]butan-2-amine
CID 115982371
1-[2-[(2-ethyl-1,3-thiazol-4-yl)methoxy]-5-fluorophenyl]butan-2-amine
CID 107701409
1-[2-[(2,6-dimethylphenyl)methoxy]-5-fluorophenyl]propan-2-amine
CID 107701121
1-(5-fluoro-2-heptoxyphenyl)butan-2-amine
CID 107701259
1-[2-[(2-chloro-5-fluorophenyl)methoxy]phenyl]butan-2-amine
CID 102619488
1-(5-fluoro-2-pent-4-ynoxyphenyl)butan-2-amine
CID 107701484
1-[2-[(1-ethylpyrazol-4-yl)methoxy]-5-fluorophenyl]butan-2-amine
CID 107701248
1-[2-(3,4-dimethylphenoxy)-5-fluorophenyl]butan-2-amine
CID 63802435
1-[2-[2-(diethylamino)ethoxy]-5-fluorophenyl]butan-2-amine
CID 107701612
5-[2-(2-aminobutyl)-4-fluorophenoxy]pentanenitrile
CID 107701603

Frequently Asked Questions

What is the IUPAC name of 1-[5-fluoro-2-[(3-methyl-2-pyridinyl)methoxy]phenyl]butan-2-amine?
The IUPAC name of 1-[5-fluoro-2-[(3-methyl-2-pyridinyl)methoxy]phenyl]butan-2-amine (CID 107701306) is 1-[5-fluoro-2-[(3-methyl-2-pyridinyl)methoxy]phenyl]butan-2-amine.
What is the SMILES notation for 1-[5-fluoro-2-[(3-methyl-2-pyridinyl)methoxy]phenyl]butan-2-amine?
The canonical SMILES for 1-[5-fluoro-2-[(3-methyl-2-pyridinyl)methoxy]phenyl]butan-2-amine is CCC(N)Cc1cc(F)ccc1OCc1ncccc1C.
What is the InChIKey of 1-[5-fluoro-2-[(3-methyl-2-pyridinyl)methoxy]phenyl]butan-2-amine?
The InChIKey is ALBQVEROJAIKQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN2O/c1-3-15(19)10-13-9-14(18)6-7-17(13)21-11-16-12(2)5-4-8-20-16/h4-9,15H,3,10-11,19H2,1-2H3.
What are the key properties of 1-[5-fluoro-2-[(3-methyl-2-pyridinyl)methoxy]phenyl]butan-2-amine?
1-[5-fluoro-2-[(3-methyl-2-pyridinyl)methoxy]phenyl]butan-2-amine has a molecular weight of 288.37 g/mol, XLogP of 3.39, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-fluoro-2-[(3-methyl-2-pyridinyl)methoxy]phenyl]butan-2-amine is sourced from PubChem (CID 107701306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).