2-fluoro-2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)ethanamine

C8H15FN2 — CID 105431028

IUPAC2-fluoro-2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)ethanamine
SMILESCN1CC=C(C(F)CN)CC1
InChIInChI=1S/C8H15FN2/c1-11-4-2-7(3-5-11)8(9)6-10/h2,8H,3-6,10H2,1H3
InChIKeyHGMCDNKXACYFBA-UHFFFAOYSA-N
MW158.22 g/mol
LogP0.55
Rot. Bonds2

About 2-fluoro-2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)ethanamine

2-fluoro-2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)ethanamine (PubChem CID 105431028) has the molecular formula C8H15FN2 and a molecular weight of 158.22 g/mol. Its IUPAC name is 2-fluoro-2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)ethanamine.

Molecular Properties

Compound Name2-fluoro-2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)ethanamine
PubChem CID105431028
Molecular FormulaC8H15FN2
Molecular Weight158.22 g/mol
Exact Mass158.12
IUPAC Name2-fluoro-2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)ethanamine
SMILESCN1CC=C(C(F)CN)CC1
InChIInChI=1S/C8H15FN2/c1-11-4-2-7(3-5-11)8(9)6-10/h2,8H,3-6,10H2,1H3
InChIKeyHGMCDNKXACYFBA-UHFFFAOYSA-N
XLogP0.55
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.22
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)ethanamine?
The IUPAC name of 2-fluoro-2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)ethanamine (CID 105431028) is 2-fluoro-2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)ethanamine.
What is the SMILES notation for 2-fluoro-2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)ethanamine?
The canonical SMILES for 2-fluoro-2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)ethanamine is CN1CC=C(C(F)CN)CC1.
What is the InChIKey of 2-fluoro-2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)ethanamine?
The InChIKey is HGMCDNKXACYFBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15FN2/c1-11-4-2-7(3-5-11)8(9)6-10/h2,8H,3-6,10H2,1H3.
What are the key properties of 2-fluoro-2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)ethanamine?
2-fluoro-2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)ethanamine has a molecular weight of 158.22 g/mol, XLogP of 0.55, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)ethanamine is sourced from PubChem (CID 105431028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).