N-[1-(5-fluoro-2-pyridinyl)ethyl]-2-methylbutan-1-amine

C12H19FN2 — CID 83120285

IUPACN-[1-(5-fluoro-2-pyridinyl)ethyl]-2-methylbutan-1-amine
SMILESCCC(C)CNC(C)c1ccc(F)cn1
InChIInChI=1S/C12H19FN2/c1-4-9(2)7-14-10(3)12-6-5-11(13)8-15-12/h5-6,8-10,14H,4,7H2,1-3H3
InChIKeyTWCKBFSTZSPKND-UHFFFAOYSA-N
MW210.30 g/mol
LogP2.92
Rot. Bonds5

About N-[1-(5-fluoro-2-pyridinyl)ethyl]-2-methylbutan-1-amine

N-[1-(5-fluoro-2-pyridinyl)ethyl]-2-methylbutan-1-amine (PubChem CID 83120285) has the molecular formula C12H19FN2 and a molecular weight of 210.30 g/mol. Its IUPAC name is N-[1-(5-fluoro-2-pyridinyl)ethyl]-2-methylbutan-1-amine.

Molecular Properties

Compound NameN-[1-(5-fluoro-2-pyridinyl)ethyl]-2-methylbutan-1-amine
PubChem CID83120285
Molecular FormulaC12H19FN2
Molecular Weight210.30 g/mol
Exact Mass210.15
IUPAC NameN-[1-(5-fluoro-2-pyridinyl)ethyl]-2-methylbutan-1-amine
SMILESCCC(C)CNC(C)c1ccc(F)cn1
InChIInChI=1S/C12H19FN2/c1-4-9(2)7-14-10(3)12-6-5-11(13)8-15-12/h5-6,8-10,14H,4,7H2,1-3H3
InChIKeyTWCKBFSTZSPKND-UHFFFAOYSA-N
XLogP2.92
TPSA24.92 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 ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[1-(5-fluoro-2-pyridinyl)ethyl]-2-methylbutan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,2-difluoro-N-[1-(5-fluoro-2-pyridinyl)ethyl]ethanamine
CID 83119275
3-ethyl-1-N-[1-(5-fluoro-2-pyridinyl)ethyl]-2-N,2-N-dimethylpentane-1,2-diamine
CID 83118164
3-[1-(5-fluoro-2-pyridinyl)propylamino]-2-methylpropan-1-ol
CID 112583184
N-[1-(5-fluoro-2-pyridinyl)ethyl]but-2-yn-1-amine
CID 115896973
N-[1-(5-fluoro-2-pyridinyl)ethyl]-2,2-dimethylbutan-1-amine
CID 103460664
3-[1-(5-fluoro-2-pyridinyl)ethylamino]propan-1-ol
CID 83117272
N'-ethyl-N-[1-(5-fluoro-2-pyridinyl)ethyl]-N'-methylethane-1,2-diamine
CID 83120084
N-[1-(5-fluoro-2-pyridinyl)ethyl]but-3-yn-1-amine
CID 83119612
5-[1-(5-fluoro-2-pyridinyl)ethylamino]pentan-1-ol
CID 107303084
1-[1-(5-fluoro-2-pyridinyl)ethylamino]-2-methylbutan-2-ol
CID 83118832
N-[1-(5-fluoro-2-pyridinyl)ethyl]-2-methyl-2-methylsulfonylpropan-1-amine
CID 83119908
1-(5-fluoro-2-pyridinyl)-N-[(1-propan-2-ylcyclopropyl)methyl]ethanamine
CID 103903261

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-fluoro-2-pyridinyl)ethyl]-2-methylbutan-1-amine?
The IUPAC name of N-[1-(5-fluoro-2-pyridinyl)ethyl]-2-methylbutan-1-amine (CID 83120285) is N-[1-(5-fluoro-2-pyridinyl)ethyl]-2-methylbutan-1-amine.
What is the SMILES notation for N-[1-(5-fluoro-2-pyridinyl)ethyl]-2-methylbutan-1-amine?
The canonical SMILES for N-[1-(5-fluoro-2-pyridinyl)ethyl]-2-methylbutan-1-amine is CCC(C)CNC(C)c1ccc(F)cn1.
What is the InChIKey of N-[1-(5-fluoro-2-pyridinyl)ethyl]-2-methylbutan-1-amine?
The InChIKey is TWCKBFSTZSPKND-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19FN2/c1-4-9(2)7-14-10(3)12-6-5-11(13)8-15-12/h5-6,8-10,14H,4,7H2,1-3H3.
What are the key properties of N-[1-(5-fluoro-2-pyridinyl)ethyl]-2-methylbutan-1-amine?
N-[1-(5-fluoro-2-pyridinyl)ethyl]-2-methylbutan-1-amine has a molecular weight of 210.30 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-fluoro-2-pyridinyl)ethyl]-2-methylbutan-1-amine is sourced from PubChem (CID 83120285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).