(1S)-1-(2-fluoro-3-pyridinyl)-2-methoxyethanamine

C8H11FN2O — CID 55294134

IUPAC(1S)-1-(2-fluoro-3-pyridinyl)-2-methoxyethanamine
SMILESCOC[C@@H](N)c1cccnc1F
InChIInChI=1S/C8H11FN2O/c1-12-5-7(10)6-3-2-4-11-8(6)9/h2-4,7H,5,10H2,1H3/t7-/m1/s1
InChIKeyBPVHAHXSESEFHE-SSDOTTSWSA-N
MW170.19 g/mol
LogP0.87
Rot. Bonds3

About (1S)-1-(2-fluoro-3-pyridinyl)-2-methoxyethanamine

(1S)-1-(2-fluoro-3-pyridinyl)-2-methoxyethanamine (PubChem CID 55294134) has the molecular formula C8H11FN2O and a molecular weight of 170.19 g/mol. Its IUPAC name is (1S)-1-(2-fluoro-3-pyridinyl)-2-methoxyethanamine.

Molecular Properties

Compound Name(1S)-1-(2-fluoro-3-pyridinyl)-2-methoxyethanamine
PubChem CID55294134
Molecular FormulaC8H11FN2O
Molecular Weight170.19 g/mol
Exact Mass170.09
IUPAC Name(1S)-1-(2-fluoro-3-pyridinyl)-2-methoxyethanamine
SMILESCOC[C@@H](N)c1cccnc1F
InChIInChI=1S/C8H11FN2O/c1-12-5-7(10)6-3-2-4-11-8(6)9/h2-4,7H,5,10H2,1H3/t7-/m1/s1
InChIKeyBPVHAHXSESEFHE-SSDOTTSWSA-N
XLogP0.87
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.19
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

(1S)-1-(2-fluoro-3-pyridinyl)-3-methylbutan-1-amine;hydrochloride
CID 171222925
(1S)-3,3-difluoro-1-(2-fluoro-3-pyridinyl)propan-1-amine;hydrochloride
CID 171312984
(1S)-3,3,3-trifluoro-1-(2-fluoro-3-pyridinyl)propan-1-amine;hydrochloride
CID 171222927
(3R)-3-amino-3-(2-fluoro-3-pyridinyl)propanoic acid
CID 55293106
(1R)-1-(2-fluoro-3-pyridinyl)but-3-en-1-amine;hydrochloride
CID 171203354
(1R)-4,4,4-trifluoro-1-(2-fluoro-3-pyridinyl)butan-1-amine;hydrochloride
CID 171203362
(1S)-4,4,4-trifluoro-1-(2-fluoro-3-pyridinyl)butan-1-amine;hydrochloride
CID 171222929
(1R)-1-(2-fluoro-3-pyridinyl)butane-1,4-diamine;hydrochloride
CID 171203348
(1S)-2-methoxy-1-(3-methyl-2-pyridinyl)ethanamine
CID 55293686
methyl (2R)-2-amino-2-(2-fluoro-3-pyridinyl)acetate;hydrochloride
CID 171222945
2-methoxy-1-naphthalen-1-ylethanamine
CID 16790923
(4R)-4-amino-4-(2-fluoro-3-pyridinyl)butanoic acid
CID 55265569

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(2-fluoro-3-pyridinyl)-2-methoxyethanamine?
The IUPAC name of (1S)-1-(2-fluoro-3-pyridinyl)-2-methoxyethanamine (CID 55294134) is (1S)-1-(2-fluoro-3-pyridinyl)-2-methoxyethanamine.
What is the SMILES notation for (1S)-1-(2-fluoro-3-pyridinyl)-2-methoxyethanamine?
The canonical SMILES for (1S)-1-(2-fluoro-3-pyridinyl)-2-methoxyethanamine is COC[C@@H](N)c1cccnc1F.
What is the InChIKey of (1S)-1-(2-fluoro-3-pyridinyl)-2-methoxyethanamine?
The InChIKey is BPVHAHXSESEFHE-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H11FN2O/c1-12-5-7(10)6-3-2-4-11-8(6)9/h2-4,7H,5,10H2,1H3/t7-/m1/s1.
What are the key properties of (1S)-1-(2-fluoro-3-pyridinyl)-2-methoxyethanamine?
(1S)-1-(2-fluoro-3-pyridinyl)-2-methoxyethanamine has a molecular weight of 170.19 g/mol, XLogP of 0.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(2-fluoro-3-pyridinyl)-2-methoxyethanamine is sourced from PubChem (CID 55294134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).