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

C15H21FN2O — CID 104921351

IUPAC(1R)-1-[2-fluoro-6-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]phenyl]ethanamine
SMILESCOCC1=CCN(c2cccc(F)c2[C@@H](C)N)CC1
InChIInChI=1S/C15H21FN2O/c1-11(17)15-13(16)4-3-5-14(15)18-8-6-12(7-9-18)10-19-2/h3-6,11H,7-10,17H2,1-2H3/t11-/m1/s1
InChIKeyHKAMHPUDYMSIBQ-LLVKDONJSA-N
MW264.34 g/mol
LogP2.63
Rot. Bonds4

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

(1R)-1-[2-fluoro-6-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]phenyl]ethanamine (PubChem CID 104921351) has the molecular formula C15H21FN2O and a molecular weight of 264.34 g/mol. Its IUPAC name is (1R)-1-[2-fluoro-6-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]phenyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-[2-fluoro-6-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]phenyl]ethanamine
PubChem CID104921351
Molecular FormulaC15H21FN2O
Molecular Weight264.34 g/mol
Exact Mass264.16
IUPAC Name(1R)-1-[2-fluoro-6-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]phenyl]ethanamine
SMILESCOCC1=CCN(c2cccc(F)c2[C@@H](C)N)CC1
InChIInChI=1S/C15H21FN2O/c1-11(17)15-13(16)4-3-5-14(15)18-8-6-12(7-9-18)10-19-2/h3-6,11H,7-10,17H2,1-2H3/t11-/m1/s1
InChIKeyHKAMHPUDYMSIBQ-LLVKDONJSA-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

1-[3-fluoro-4-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]phenyl]ethanamine
CID 114410411
(1S)-1-[2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]phenyl]propan-1-amine
CID 104921336
3-fluoro-2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]benzoic acid
CID 114410186
1-[2-(3,4-dimethoxypyrrolidin-1-yl)-6-fluorophenyl]ethanamine
CID 103534523
(1R)-1-[3-bromo-4-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]phenyl]ethanamine
CID 104921334
(1S)-1-[2-(4,4-diethylpiperidin-1-yl)-6-fluorophenyl]ethanamine
CID 78936860
(1R)-1-[2-(1,3-dihydroisoindol-2-yl)-6-fluorophenyl]ethanamine
CID 78935636
1-[2-(4-tert-butylpiperazin-1-yl)-6-fluorophenyl]ethanamine
CID 61432786
1-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-6-fluorophenyl]ethanamine
CID 43581575
(1R)-1-[2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-3-pyridinyl]ethanamine
CID 114056413
(1R)-1-[2-(3-azaspiro[5.5]undecan-3-yl)-6-fluorophenyl]ethanamine
CID 63368928
(1R)-1-[2-fluoro-6-(4-propylpiperidin-1-yl)phenyl]ethanamine
CID 63369022

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[2-fluoro-6-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]phenyl]ethanamine?
The IUPAC name of (1R)-1-[2-fluoro-6-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]phenyl]ethanamine (CID 104921351) is (1R)-1-[2-fluoro-6-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]phenyl]ethanamine.
What is the SMILES notation for (1R)-1-[2-fluoro-6-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]phenyl]ethanamine?
The canonical SMILES for (1R)-1-[2-fluoro-6-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]phenyl]ethanamine is COCC1=CCN(c2cccc(F)c2[C@@H](C)N)CC1.
What is the InChIKey of (1R)-1-[2-fluoro-6-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]phenyl]ethanamine?
The InChIKey is HKAMHPUDYMSIBQ-LLVKDONJSA-N. The full InChI is InChI=1S/C15H21FN2O/c1-11(17)15-13(16)4-3-5-14(15)18-8-6-12(7-9-18)10-19-2/h3-6,11H,7-10,17H2,1-2H3/t11-/m1/s1.
What are the key properties of (1R)-1-[2-fluoro-6-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]phenyl]ethanamine?
(1R)-1-[2-fluoro-6-[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 (1R)-1-[2-fluoro-6-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]phenyl]ethanamine is sourced from PubChem (CID 104921351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).