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

C15H21FN2O — CID 114410411

IUPAC1-[3-fluoro-4-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]phenyl]ethanamine
SMILESCOCC1=CCN(c2ccc(C(C)N)cc2F)CC1
InChIInChI=1S/C15H21FN2O/c1-11(17)13-3-4-15(14(16)9-13)18-7-5-12(6-8-18)10-19-2/h3-5,9,11H,6-8,10,17H2,1-2H3
InChIKeyOKAGXHAIGXZUOA-UHFFFAOYSA-N
MW264.34 g/mol
LogP2.63
Rot. Bonds4

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

1-[3-fluoro-4-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]phenyl]ethanamine (PubChem CID 114410411) has the molecular formula C15H21FN2O and a molecular weight of 264.34 g/mol. Its IUPAC name is 1-[3-fluoro-4-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]phenyl]ethanamine.

Molecular Properties

Compound Name1-[3-fluoro-4-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]phenyl]ethanamine
PubChem CID114410411
Molecular FormulaC15H21FN2O
Molecular Weight264.34 g/mol
Exact Mass264.16
IUPAC Name1-[3-fluoro-4-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]phenyl]ethanamine
SMILESCOCC1=CCN(c2ccc(C(C)N)cc2F)CC1
InChIInChI=1S/C15H21FN2O/c1-11(17)13-3-4-15(14(16)9-13)18-7-5-12(6-8-18)10-19-2/h3-5,9,11H,6-8,10,17H2,1-2H3
InChIKeyOKAGXHAIGXZUOA-UHFFFAOYSA-N
XLogP2.63
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.34
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(1R)-1-[3-bromo-4-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]phenyl]ethanamine
CID 104921334
1-[3-fluoro-4-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]phenyl]ethanamine
CID 114490086
(1R)-1-[2-fluoro-6-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]phenyl]ethanamine
CID 104921351
1-[4-(azepan-1-yl)-3-fluorophenyl]ethanamine
CID 43188748
1-(3-fluoro-4-pyrrolidin-1-ylphenyl)ethanamine;dihydrochloride
CID 112758006
(1R)-1-(3-fluoro-4-thiomorpholin-4-ylphenyl)ethanamine
CID 28787551
1-[4-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-3-nitrophenyl]ethanol
CID 114411424
1-[3-fluoro-4-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]phenyl]ethanol
CID 114490352
[1-[4-[(1S)-1-aminoethyl]-2-fluorophenyl]piperidin-4-yl]methanol
CID 78936152
ethyl 4-[4-[(1S)-1-aminoethyl]-2-fluorophenyl]piperazine-1-carboxylate
CID 107877088
(1S)-1-[2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]phenyl]propan-1-amine
CID 104921336
(1S)-1-[3-fluoro-4-(4-propylpiperidin-1-yl)phenyl]ethanamine
CID 55190679

Frequently Asked Questions

What is the IUPAC name of 1-[3-fluoro-4-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]phenyl]ethanamine?
The IUPAC name of 1-[3-fluoro-4-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]phenyl]ethanamine (CID 114410411) is 1-[3-fluoro-4-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]phenyl]ethanamine.
What is the SMILES notation for 1-[3-fluoro-4-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]phenyl]ethanamine?
The canonical SMILES for 1-[3-fluoro-4-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]phenyl]ethanamine is COCC1=CCN(c2ccc(C(C)N)cc2F)CC1.
What is the InChIKey of 1-[3-fluoro-4-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]phenyl]ethanamine?
The InChIKey is OKAGXHAIGXZUOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O/c1-11(17)13-3-4-15(14(16)9-13)18-7-5-12(6-8-18)10-19-2/h3-5,9,11H,6-8,10,17H2,1-2H3.
What are the key properties of 1-[3-fluoro-4-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]phenyl]ethanamine?
1-[3-fluoro-4-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]phenyl]ethanamine has a molecular weight of 264.34 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-fluoro-4-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]phenyl]ethanamine is sourced from PubChem (CID 114410411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).