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

C7H13FN2 — CID 105428659

IUPACfluoro-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)methanamine
SMILESCN1CC=C(C(N)F)CC1
InChIInChI=1S/C7H13FN2/c1-10-4-2-6(3-5-10)7(8)9/h2,7H,3-5,9H2,1H3
InChIKeyOOAADKZHDXKVHY-UHFFFAOYSA-N
MW144.19 g/mol
LogP0.50
Rot. Bonds1

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

fluoro-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)methanamine (PubChem CID 105428659) has the molecular formula C7H13FN2 and a molecular weight of 144.19 g/mol. Its IUPAC name is fluoro-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)methanamine.

Molecular Properties

Compound Namefluoro-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)methanamine
PubChem CID105428659
Molecular FormulaC7H13FN2
Molecular Weight144.19 g/mol
Exact Mass144.11
IUPAC Namefluoro-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)methanamine
SMILESCN1CC=C(C(N)F)CC1
InChIInChI=1S/C7H13FN2/c1-10-4-2-6(3-5-10)7(8)9/h2,7H,3-5,9H2,1H3
InChIKeyOOAADKZHDXKVHY-UHFFFAOYSA-N
XLogP0.50
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.19
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of fluoro-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)methanamine?
The IUPAC name of fluoro-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)methanamine (CID 105428659) is fluoro-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)methanamine.
What is the SMILES notation for fluoro-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)methanamine?
The canonical SMILES for fluoro-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)methanamine is CN1CC=C(C(N)F)CC1.
What is the InChIKey of fluoro-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)methanamine?
The InChIKey is OOAADKZHDXKVHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13FN2/c1-10-4-2-6(3-5-10)7(8)9/h2,7H,3-5,9H2,1H3.
What are the key properties of fluoro-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)methanamine?
fluoro-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)methanamine has a molecular weight of 144.19 g/mol, XLogP of 0.50, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for fluoro-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)methanamine is sourced from PubChem (CID 105428659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).