2-[(5-ethyl-2-pyridinyl)methyl]-2-fluorobutan-1-amine

C12H19FN2 — CID 112566174

IUPAC2-[(5-ethyl-2-pyridinyl)methyl]-2-fluorobutan-1-amine
SMILESCCc1ccc(CC(F)(CC)CN)nc1
InChIInChI=1S/C12H19FN2/c1-3-10-5-6-11(15-8-10)7-12(13,4-2)9-14/h5-6,8H,3-4,7,9,14H2,1-2H3
InChIKeyYBWUUOBNBSVKGR-UHFFFAOYSA-N
MW210.30 g/mol
LogP2.26
Rot. Bonds5

About 2-[(5-ethyl-2-pyridinyl)methyl]-2-fluorobutan-1-amine

2-[(5-ethyl-2-pyridinyl)methyl]-2-fluorobutan-1-amine (PubChem CID 112566174) has the molecular formula C12H19FN2 and a molecular weight of 210.30 g/mol. Its IUPAC name is 2-[(5-ethyl-2-pyridinyl)methyl]-2-fluorobutan-1-amine.

Molecular Properties

Compound Name2-[(5-ethyl-2-pyridinyl)methyl]-2-fluorobutan-1-amine
PubChem CID112566174
Molecular FormulaC12H19FN2
Molecular Weight210.30 g/mol
Exact Mass210.15
IUPAC Name2-[(5-ethyl-2-pyridinyl)methyl]-2-fluorobutan-1-amine
SMILESCCc1ccc(CC(F)(CC)CN)nc1
InChIInChI=1S/C12H19FN2/c1-3-10-5-6-11(15-8-10)7-12(13,4-2)9-14/h5-6,8H,3-4,7,9,14H2,1-2H3
InChIKeyYBWUUOBNBSVKGR-UHFFFAOYSA-N
XLogP2.26
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.30
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-ethylphenyl)-1-(5-ethyl-2-pyridinyl)propan-2-ol
CID 79739586
2-(5-ethyl-2-pyridinyl)ethanamine;hydrochloride
CID 76847658
1-(5-ethyl-2-pyridinyl)-3-(4-methoxyphenyl)-2-methylpropan-2-amine
CID 79732624
1-(5-ethyl-2-pyridinyl)-2-(3-fluorophenyl)butan-2-ol
CID 114872587
3-(5-ethyl-2-pyridinyl)-2-methylpropan-1-amine
CID 81020364
1-(5-ethyl-2-pyridinyl)-4,4,4-trifluorobutan-2-ol
CID 79746123
1-(5-ethyl-2-pyridinyl)-2-(4-methylphenyl)propan-2-ol
CID 79740506
2-fluoro-2-[(1-methylpyrazol-4-yl)methyl]butan-1-amine
CID 112566058
[1-(5-ethyl-2-pyridinyl)-3-(2,2,2-trifluoroethoxy)propan-2-yl]hydrazine
CID 103217657
[1-(5-ethyl-2-pyridinyl)-3-methoxy-3-methylpentan-2-yl]hydrazine
CID 105274346
2-[(3-bromo-4-fluorophenyl)methyl]-2-fluorobutan-1-amine
CID 112565924
N'-[(5-ethyl-2-pyridinyl)methyl]propane-1,3-diamine
CID 79739974

Frequently Asked Questions

What is the IUPAC name of 2-[(5-ethyl-2-pyridinyl)methyl]-2-fluorobutan-1-amine?
The IUPAC name of 2-[(5-ethyl-2-pyridinyl)methyl]-2-fluorobutan-1-amine (CID 112566174) is 2-[(5-ethyl-2-pyridinyl)methyl]-2-fluorobutan-1-amine.
What is the SMILES notation for 2-[(5-ethyl-2-pyridinyl)methyl]-2-fluorobutan-1-amine?
The canonical SMILES for 2-[(5-ethyl-2-pyridinyl)methyl]-2-fluorobutan-1-amine is CCc1ccc(CC(F)(CC)CN)nc1.
What is the InChIKey of 2-[(5-ethyl-2-pyridinyl)methyl]-2-fluorobutan-1-amine?
The InChIKey is YBWUUOBNBSVKGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19FN2/c1-3-10-5-6-11(15-8-10)7-12(13,4-2)9-14/h5-6,8H,3-4,7,9,14H2,1-2H3.
What are the key properties of 2-[(5-ethyl-2-pyridinyl)methyl]-2-fluorobutan-1-amine?
2-[(5-ethyl-2-pyridinyl)methyl]-2-fluorobutan-1-amine has a molecular weight of 210.30 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-ethyl-2-pyridinyl)methyl]-2-fluorobutan-1-amine is sourced from PubChem (CID 112566174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).