1-(2-fluoro-3,4-dihydropyridin-3-yl)-N-methylmethanamine

C7H11FN2 — CID 139419293

IUPAC1-(2-fluoro-3,4-dihydropyridin-3-yl)-N-methylmethanamine
SMILESCNCC1CC=CN=C1F
InChIInChI=1S/C7H11FN2/c1-9-5-6-3-2-4-10-7(6)8/h2,4,6,9H,3,5H2,1H3
InChIKeyGRTVWRNXPSSNNT-UHFFFAOYSA-N
MW142.18 g/mol
LogP1.11
Rot. Bonds2

About 1-(2-fluoro-3,4-dihydropyridin-3-yl)-N-methylmethanamine

1-(2-fluoro-3,4-dihydropyridin-3-yl)-N-methylmethanamine (PubChem CID 139419293) has the molecular formula C7H11FN2 and a molecular weight of 142.18 g/mol. Its IUPAC name is 1-(2-fluoro-3,4-dihydropyridin-3-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(2-fluoro-3,4-dihydropyridin-3-yl)-N-methylmethanamine
PubChem CID139419293
Molecular FormulaC7H11FN2
Molecular Weight142.18 g/mol
Exact Mass142.09
IUPAC Name1-(2-fluoro-3,4-dihydropyridin-3-yl)-N-methylmethanamine
SMILESCNCC1CC=CN=C1F
InChIInChI=1S/C7H11FN2/c1-9-5-6-3-2-4-10-7(6)8/h2,4,6,9H,3,5H2,1H3
InChIKeyGRTVWRNXPSSNNT-UHFFFAOYSA-N
XLogP1.11
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.18
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

CID 68046398
CID 68046398
CID 117901021
CID 117901021
CID 142067287
CID 142067287
CID 144416680
CID 144416680
CID 162366321
CID 162366321
CID 174257073
CID 174257073

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-3,4-dihydropyridin-3-yl)-N-methylmethanamine?
The IUPAC name of 1-(2-fluoro-3,4-dihydropyridin-3-yl)-N-methylmethanamine (CID 139419293) is 1-(2-fluoro-3,4-dihydropyridin-3-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(2-fluoro-3,4-dihydropyridin-3-yl)-N-methylmethanamine?
The canonical SMILES for 1-(2-fluoro-3,4-dihydropyridin-3-yl)-N-methylmethanamine is CNCC1CC=CN=C1F.
What is the InChIKey of 1-(2-fluoro-3,4-dihydropyridin-3-yl)-N-methylmethanamine?
The InChIKey is GRTVWRNXPSSNNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11FN2/c1-9-5-6-3-2-4-10-7(6)8/h2,4,6,9H,3,5H2,1H3.
What are the key properties of 1-(2-fluoro-3,4-dihydropyridin-3-yl)-N-methylmethanamine?
1-(2-fluoro-3,4-dihydropyridin-3-yl)-N-methylmethanamine has a molecular weight of 142.18 g/mol, XLogP of 1.11, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-3,4-dihydropyridin-3-yl)-N-methylmethanamine is sourced from PubChem (CID 139419293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).