2-(5-fluoro-2-pyridinyl)-1-(2-methoxy-5-methylphenyl)butan-2-amine

C17H21FN2O — CID 115940798

IUPAC2-(5-fluoro-2-pyridinyl)-1-(2-methoxy-5-methylphenyl)butan-2-amine
SMILESCCC(N)(Cc1cc(C)ccc1OC)c1ccc(F)cn1
InChIInChI=1S/C17H21FN2O/c1-4-17(19,16-8-6-14(18)11-20-16)10-13-9-12(2)5-7-15(13)21-3/h5-9,11H,4,10,19H2,1-3H3
InChIKeySVKJGQBLHTYKGI-UHFFFAOYSA-N
MW288.37 g/mol
LogP3.34
Rot. Bonds5

About 2-(5-fluoro-2-pyridinyl)-1-(2-methoxy-5-methylphenyl)butan-2-amine

2-(5-fluoro-2-pyridinyl)-1-(2-methoxy-5-methylphenyl)butan-2-amine (PubChem CID 115940798) has the molecular formula C17H21FN2O and a molecular weight of 288.37 g/mol. Its IUPAC name is 2-(5-fluoro-2-pyridinyl)-1-(2-methoxy-5-methylphenyl)butan-2-amine.

Molecular Properties

Compound Name2-(5-fluoro-2-pyridinyl)-1-(2-methoxy-5-methylphenyl)butan-2-amine
PubChem CID115940798
Molecular FormulaC17H21FN2O
Molecular Weight288.37 g/mol
Exact Mass288.16
IUPAC Name2-(5-fluoro-2-pyridinyl)-1-(2-methoxy-5-methylphenyl)butan-2-amine
SMILESCCC(N)(Cc1cc(C)ccc1OC)c1ccc(F)cn1
InChIInChI=1S/C17H21FN2O/c1-4-17(19,16-8-6-14(18)11-20-16)10-13-9-12(2)5-7-15(13)21-3/h5-9,11H,4,10,19H2,1-3H3
InChIKeySVKJGQBLHTYKGI-UHFFFAOYSA-N
XLogP3.34
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,5-dimethylphenyl)-2-(5-fluoro-2-pyridinyl)propan-2-amine
CID 83125513
1-(3-fluoro-4-methoxyphenyl)-1-(5-fluoro-2-pyridinyl)propan-1-amine
CID 115940834
3-(5-fluoro-2-pyridinyl)-5-methylhexan-3-amine
CID 112585951
1-(2-fluoro-3-methoxyphenyl)-1-(5-fluoro-2-pyridinyl)propan-1-amine
CID 115940775
2-(5-fluoro-2-pyridinyl)-1-(1-propan-2-ylpyrazol-3-yl)butan-2-amine
CID 115940871
2-fluoro-2-[(2-methoxy-5-methylphenyl)methyl]-3-methylbutan-1-amine
CID 112566938
1-(5-bromo-2-methoxyphenyl)-2-(2-fluorophenyl)butan-2-amine
CID 115996356
1-methoxy-3-(2-methoxy-5-methylphenyl)-2-methylpropan-2-ol
CID 62534879
1-(5-fluoro-3-pyridinyl)-2-(2-methoxy-5-methylphenyl)ethanone
CID 105085227
3-(5-fluoro-2-methoxyphenyl)-2,2-dimethylpropan-1-amine
CID 82111061
4-amino-1-(2-methoxy-5-methylphenyl)-4-methylpentan-2-one
CID 116581195
4-fluoro-N-[(2-methoxy-5-methylphenyl)methyl]aniline
CID 43408473

Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-2-pyridinyl)-1-(2-methoxy-5-methylphenyl)butan-2-amine?
The IUPAC name of 2-(5-fluoro-2-pyridinyl)-1-(2-methoxy-5-methylphenyl)butan-2-amine (CID 115940798) is 2-(5-fluoro-2-pyridinyl)-1-(2-methoxy-5-methylphenyl)butan-2-amine.
What is the SMILES notation for 2-(5-fluoro-2-pyridinyl)-1-(2-methoxy-5-methylphenyl)butan-2-amine?
The canonical SMILES for 2-(5-fluoro-2-pyridinyl)-1-(2-methoxy-5-methylphenyl)butan-2-amine is CCC(N)(Cc1cc(C)ccc1OC)c1ccc(F)cn1.
What is the InChIKey of 2-(5-fluoro-2-pyridinyl)-1-(2-methoxy-5-methylphenyl)butan-2-amine?
The InChIKey is SVKJGQBLHTYKGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN2O/c1-4-17(19,16-8-6-14(18)11-20-16)10-13-9-12(2)5-7-15(13)21-3/h5-9,11H,4,10,19H2,1-3H3.
What are the key properties of 2-(5-fluoro-2-pyridinyl)-1-(2-methoxy-5-methylphenyl)butan-2-amine?
2-(5-fluoro-2-pyridinyl)-1-(2-methoxy-5-methylphenyl)butan-2-amine has a molecular weight of 288.37 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-2-pyridinyl)-1-(2-methoxy-5-methylphenyl)butan-2-amine is sourced from PubChem (CID 115940798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).