N-[1-(5-fluoro-3-pyridinyl)ethyl]-2,2-dimethylpropan-1-amine

C12H19FN2 — CID 103779066

IUPACN-[1-(5-fluoro-3-pyridinyl)ethyl]-2,2-dimethylpropan-1-amine
SMILESCC(NCC(C)(C)C)c1cncc(F)c1
InChIInChI=1S/C12H19FN2/c1-9(15-8-12(2,3)4)10-5-11(13)7-14-6-10/h5-7,9,15H,8H2,1-4H3
InChIKeyPGRLZFAQZDLJIM-UHFFFAOYSA-N
MW210.30 g/mol
LogP2.92
Rot. Bonds3

About N-[1-(5-fluoro-3-pyridinyl)ethyl]-2,2-dimethylpropan-1-amine

N-[1-(5-fluoro-3-pyridinyl)ethyl]-2,2-dimethylpropan-1-amine (PubChem CID 103779066) has the molecular formula C12H19FN2 and a molecular weight of 210.30 g/mol. Its IUPAC name is N-[1-(5-fluoro-3-pyridinyl)ethyl]-2,2-dimethylpropan-1-amine.

Molecular Properties

Compound NameN-[1-(5-fluoro-3-pyridinyl)ethyl]-2,2-dimethylpropan-1-amine
PubChem CID103779066
Molecular FormulaC12H19FN2
Molecular Weight210.30 g/mol
Exact Mass210.15
IUPAC NameN-[1-(5-fluoro-3-pyridinyl)ethyl]-2,2-dimethylpropan-1-amine
SMILESCC(NCC(C)(C)C)c1cncc(F)c1
InChIInChI=1S/C12H19FN2/c1-9(15-8-12(2,3)4)10-5-11(13)7-14-6-10/h5-7,9,15H,8H2,1-4H3
InChIKeyPGRLZFAQZDLJIM-UHFFFAOYSA-N
XLogP2.92
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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

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Related Compounds

1-(5-fluoro-3-pyridinyl)-N-(2-propan-2-yloxyethyl)ethanamine
CID 75502451
N-[1-(5-fluoro-3-pyridinyl)ethyl]-2-methylbutan-2-amine
CID 115919226
N-[1-(5-fluoro-3-pyridinyl)ethyl]-3-methylsulfanylpropan-1-amine
CID 115721383
N-[1-(5-fluoro-3-pyridinyl)ethyl]-2-methylpentan-2-amine
CID 115920023
N-[1-(5-fluoro-3-pyridinyl)ethyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 103780380
N-[1-(5-fluoro-3-pyridinyl)ethyl]-4-methoxybutan-1-amine
CID 115709749
5-[1-(5-fluoro-3-pyridinyl)ethylamino]pentanenitrile
CID 115716617
1-(5-fluoro-3-pyridinyl)-N-[(1-methoxycyclobutyl)methyl]ethanamine
CID 113364614
N-[1-(5-fluoro-3-pyridinyl)ethyl]-3-methylsulfinylpropan-1-amine
CID 115721045
3-ethoxy-N-[1-(5-fluoro-3-pyridinyl)ethyl]propan-1-amine
CID 115704269
N-[2-(2,2-difluoroethoxy)ethyl]-1-(5-fluoro-3-pyridinyl)ethanamine
CID 102978048
2-[[1-(5-fluoro-3-pyridinyl)ethylamino]methyl]phenol
CID 103780351

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-fluoro-3-pyridinyl)ethyl]-2,2-dimethylpropan-1-amine?
The IUPAC name of N-[1-(5-fluoro-3-pyridinyl)ethyl]-2,2-dimethylpropan-1-amine (CID 103779066) is N-[1-(5-fluoro-3-pyridinyl)ethyl]-2,2-dimethylpropan-1-amine.
What is the SMILES notation for N-[1-(5-fluoro-3-pyridinyl)ethyl]-2,2-dimethylpropan-1-amine?
The canonical SMILES for N-[1-(5-fluoro-3-pyridinyl)ethyl]-2,2-dimethylpropan-1-amine is CC(NCC(C)(C)C)c1cncc(F)c1.
What is the InChIKey of N-[1-(5-fluoro-3-pyridinyl)ethyl]-2,2-dimethylpropan-1-amine?
The InChIKey is PGRLZFAQZDLJIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19FN2/c1-9(15-8-12(2,3)4)10-5-11(13)7-14-6-10/h5-7,9,15H,8H2,1-4H3.
What are the key properties of N-[1-(5-fluoro-3-pyridinyl)ethyl]-2,2-dimethylpropan-1-amine?
N-[1-(5-fluoro-3-pyridinyl)ethyl]-2,2-dimethylpropan-1-amine has a molecular weight of 210.30 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-fluoro-3-pyridinyl)ethyl]-2,2-dimethylpropan-1-amine is sourced from PubChem (CID 103779066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).