N-[[4-fluoro-3-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]phenyl]methyl]ethanamine

C17H25FN2O — CID 107455773

IUPACN-[[4-fluoro-3-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]phenyl]methyl]ethanamine
SMILESCCNCc1ccc(F)c(CN2CC=C(COC)CC2)c1
InChIInChI=1S/C17H25FN2O/c1-3-19-11-15-4-5-17(18)16(10-15)12-20-8-6-14(7-9-20)13-21-2/h4-6,10,19H,3,7-9,11-13H2,1-2H3
InChIKeyCPAGPNVRFPCOLF-UHFFFAOYSA-N
MW292.40 g/mol
LogP2.71
Rot. Bonds7

About N-[[4-fluoro-3-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]phenyl]methyl]ethanamine

N-[[4-fluoro-3-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]phenyl]methyl]ethanamine (PubChem CID 107455773) has the molecular formula C17H25FN2O and a molecular weight of 292.40 g/mol. Its IUPAC name is N-[[4-fluoro-3-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[4-fluoro-3-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]phenyl]methyl]ethanamine
PubChem CID107455773
Molecular FormulaC17H25FN2O
Molecular Weight292.40 g/mol
Exact Mass292.20
IUPAC NameN-[[4-fluoro-3-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]phenyl]methyl]ethanamine
SMILESCCNCc1ccc(F)c(CN2CC=C(COC)CC2)c1
InChIInChI=1S/C17H25FN2O/c1-3-19-11-15-4-5-17(18)16(10-15)12-20-8-6-14(7-9-20)13-21-2/h4-6,10,19H,3,7-9,11-13H2,1-2H3
InChIKeyCPAGPNVRFPCOLF-UHFFFAOYSA-N
XLogP2.71
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[[4-fluoro-3-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]phenyl]methyl]ethanamine with MolForge

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Related Compounds

N-[[5-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-2-methylfuran-3-yl]methyl]ethanamine
CID 114413543
N-[[4-fluoro-3-[(1-oxo-1,4-thiazinan-4-yl)methyl]phenyl]methyl]ethanamine
CID 107454554
N-[[3-(3,6-dihydro-2H-pyridin-1-ylmethyl)-4-fluorophenyl]methyl]-2-methylpropan-1-amine
CID 107455755
N-(cyclopropylmethyl)-2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanamine
CID 114411060
N-[[4-fluoro-3-(imidazol-1-ylmethyl)phenyl]methyl]ethanamine
CID 107456470
N-[[3-[(4-ethylphenoxy)methyl]-4-fluorophenyl]methyl]ethanamine
CID 107457309
N-[[3-(butoxymethyl)-4-fluorophenyl]methyl]ethanamine
CID 107457168
N-[(3,4-difluorophenyl)methyl]ethanamine
CID 24690340
N-[[3-[(3,5-dichlorophenoxy)methyl]-4-fluorophenyl]methyl]ethanamine
CID 107457585
N-[[4-fluoro-3-[(1-methylpyrazol-4-yl)oxymethyl]phenyl]methyl]ethanamine
CID 107457958
N-[[4-fluoro-3-[(2-methylpyrrolidin-1-yl)methyl]phenyl]methyl]propan-1-amine
CID 107453703
N-[[4-fluoro-3-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-2-methylpropan-1-amine
CID 107453759

Frequently Asked Questions

What is the IUPAC name of N-[[4-fluoro-3-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]phenyl]methyl]ethanamine?
The IUPAC name of N-[[4-fluoro-3-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]phenyl]methyl]ethanamine (CID 107455773) is N-[[4-fluoro-3-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]phenyl]methyl]ethanamine.
What is the SMILES notation for N-[[4-fluoro-3-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]phenyl]methyl]ethanamine?
The canonical SMILES for N-[[4-fluoro-3-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]phenyl]methyl]ethanamine is CCNCc1ccc(F)c(CN2CC=C(COC)CC2)c1.
What is the InChIKey of N-[[4-fluoro-3-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]phenyl]methyl]ethanamine?
The InChIKey is CPAGPNVRFPCOLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN2O/c1-3-19-11-15-4-5-17(18)16(10-15)12-20-8-6-14(7-9-20)13-21-2/h4-6,10,19H,3,7-9,11-13H2,1-2H3.
What are the key properties of N-[[4-fluoro-3-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]phenyl]methyl]ethanamine?
N-[[4-fluoro-3-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]phenyl]methyl]ethanamine has a molecular weight of 292.40 g/mol, XLogP of 2.71, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-fluoro-3-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]phenyl]methyl]ethanamine is sourced from PubChem (CID 107455773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).