N-[[3-fluoro-2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-4-pyridinyl]methyl]propan-2-amine

C15H22FN3 — CID 105390492

IUPACN-[[3-fluoro-2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-4-pyridinyl]methyl]propan-2-amine
SMILESCC1=CCN(c2nccc(CNC(C)C)c2F)CC1
InChIInChI=1S/C15H22FN3/c1-11(2)18-10-13-4-7-17-15(14(13)16)19-8-5-12(3)6-9-19/h4-5,7,11,18H,6,8-10H2,1-3H3
InChIKeyHFDYDHRATNEMLQ-UHFFFAOYSA-N
MW263.36 g/mol
LogP2.88
Rot. Bonds4

About N-[[3-fluoro-2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-4-pyridinyl]methyl]propan-2-amine

N-[[3-fluoro-2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-4-pyridinyl]methyl]propan-2-amine (PubChem CID 105390492) has the molecular formula C15H22FN3 and a molecular weight of 263.36 g/mol. Its IUPAC name is N-[[3-fluoro-2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-4-pyridinyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[3-fluoro-2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-4-pyridinyl]methyl]propan-2-amine
PubChem CID105390492
Molecular FormulaC15H22FN3
Molecular Weight263.36 g/mol
Exact Mass263.18
IUPAC NameN-[[3-fluoro-2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-4-pyridinyl]methyl]propan-2-amine
SMILESCC1=CCN(c2nccc(CNC(C)C)c2F)CC1
InChIInChI=1S/C15H22FN3/c1-11(2)18-10-13-4-7-17-15(14(13)16)19-8-5-12(3)6-9-19/h4-5,7,11,18H,6,8-10H2,1-3H3
InChIKeyHFDYDHRATNEMLQ-UHFFFAOYSA-N
XLogP2.88
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 N-[[3-fluoro-2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-4-pyridinyl]methyl]propan-2-amine?
The IUPAC name of N-[[3-fluoro-2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-4-pyridinyl]methyl]propan-2-amine (CID 105390492) is N-[[3-fluoro-2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-4-pyridinyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[3-fluoro-2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-4-pyridinyl]methyl]propan-2-amine?
The canonical SMILES for N-[[3-fluoro-2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-4-pyridinyl]methyl]propan-2-amine is CC1=CCN(c2nccc(CNC(C)C)c2F)CC1.
What is the InChIKey of N-[[3-fluoro-2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-4-pyridinyl]methyl]propan-2-amine?
The InChIKey is HFDYDHRATNEMLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN3/c1-11(2)18-10-13-4-7-17-15(14(13)16)19-8-5-12(3)6-9-19/h4-5,7,11,18H,6,8-10H2,1-3H3.
What are the key properties of N-[[3-fluoro-2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-4-pyridinyl]methyl]propan-2-amine?
N-[[3-fluoro-2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-4-pyridinyl]methyl]propan-2-amine has a molecular weight of 263.36 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-fluoro-2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-4-pyridinyl]methyl]propan-2-amine is sourced from PubChem (CID 105390492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).