(1S)-1-(2-fluoro-3-pyridinyl)-3-methylbutan-1-amine;hydrochloride

C10H16ClFN2 — CID 171222925

IUPAC(1S)-1-(2-fluoro-3-pyridinyl)-3-methylbutan-1-amine;hydrochloride
SMILESCC(C)C[C@H](N)c1cccnc1F.Cl
InChIInChI=1S/C10H15FN2.ClH/c1-7(2)6-9(12)8-4-3-5-13-10(8)11;/h3-5,7,9H,6,12H2,1-2H3;1H/t9-;/m0./s1
InChIKeyIRLYIPQOLQIZPQ-FVGYRXGTSA-N
MW218.70 g/mol
LogP2.69
Rot. Bonds3

About (1S)-1-(2-fluoro-3-pyridinyl)-3-methylbutan-1-amine;hydrochloride

(1S)-1-(2-fluoro-3-pyridinyl)-3-methylbutan-1-amine;hydrochloride (PubChem CID 171222925) has the molecular formula C10H16ClFN2 and a molecular weight of 218.70 g/mol. Its IUPAC name is (1S)-1-(2-fluoro-3-pyridinyl)-3-methylbutan-1-amine;hydrochloride.

Molecular Properties

Compound Name(1S)-1-(2-fluoro-3-pyridinyl)-3-methylbutan-1-amine;hydrochloride
PubChem CID171222925
Molecular FormulaC10H16ClFN2
Molecular Weight218.70 g/mol
Exact Mass218.10
IUPAC Name(1S)-1-(2-fluoro-3-pyridinyl)-3-methylbutan-1-amine;hydrochloride
SMILESCC(C)C[C@H](N)c1cccnc1F.Cl
InChIInChI=1S/C10H15FN2.ClH/c1-7(2)6-9(12)8-4-3-5-13-10(8)11;/h3-5,7,9H,6,12H2,1-2H3;1H/t9-;/m0./s1
InChIKeyIRLYIPQOLQIZPQ-FVGYRXGTSA-N
XLogP2.69
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.70
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(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
(1S)-1-(2-fluoro-3-pyridinyl)-2-methoxyethanamine
CID 55294134
(1R)-4,4,4-trifluoro-1-(2-fluoro-3-pyridinyl)butan-1-amine;hydrochloride
CID 171203362
(1R)-1-(2-fluoro-3-pyridinyl)but-3-en-1-amine;hydrochloride
CID 171203354
(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,2S)-1-amino-1-(2-fluoro-3-pyridinyl)propan-2-ol
CID 55292775
(3R)-3-amino-3-(2-fluoro-3-pyridinyl)propanoic acid
CID 55293106
(4R)-4-amino-4-(2-fluoro-3-pyridinyl)butanoic acid
CID 55265569
(1R)-1-(3-bromo-2-fluorophenyl)-3-methylbutan-1-amine
CID 130869354
(1S)-1-(2-chloro-3-fluorophenyl)-3-methylbutan-1-amine
CID 131303986

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(2-fluoro-3-pyridinyl)-3-methylbutan-1-amine;hydrochloride?
The IUPAC name of (1S)-1-(2-fluoro-3-pyridinyl)-3-methylbutan-1-amine;hydrochloride (CID 171222925) is (1S)-1-(2-fluoro-3-pyridinyl)-3-methylbutan-1-amine;hydrochloride.
What is the SMILES notation for (1S)-1-(2-fluoro-3-pyridinyl)-3-methylbutan-1-amine;hydrochloride?
The canonical SMILES for (1S)-1-(2-fluoro-3-pyridinyl)-3-methylbutan-1-amine;hydrochloride is CC(C)C[C@H](N)c1cccnc1F.Cl.
What is the InChIKey of (1S)-1-(2-fluoro-3-pyridinyl)-3-methylbutan-1-amine;hydrochloride?
The InChIKey is IRLYIPQOLQIZPQ-FVGYRXGTSA-N. The full InChI is InChI=1S/C10H15FN2.ClH/c1-7(2)6-9(12)8-4-3-5-13-10(8)11;/h3-5,7,9H,6,12H2,1-2H3;1H/t9-;/m0./s1.
What are the key properties of (1S)-1-(2-fluoro-3-pyridinyl)-3-methylbutan-1-amine;hydrochloride?
(1S)-1-(2-fluoro-3-pyridinyl)-3-methylbutan-1-amine;hydrochloride has a molecular weight of 218.70 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(2-fluoro-3-pyridinyl)-3-methylbutan-1-amine;hydrochloride is sourced from PubChem (CID 171222925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).