(1R)-1-(2-fluoro-4-pyridinyl)-2,2-dimethylpropan-1-amine

C10H15FN2 — CID 130741004

IUPAC(1R)-1-(2-fluoro-4-pyridinyl)-2,2-dimethylpropan-1-amine
SMILESCC(C)(C)[C@@H](N)c1ccnc(F)c1
InChIInChI=1S/C10H15FN2/c1-10(2,3)9(12)7-4-5-13-8(11)6-7/h4-6,9H,12H2,1-3H3/t9-/m0/s1
InChIKeyBVHLCTJJBXCRLD-VIFPVBQESA-N
MW182.24 g/mol
LogP2.27
Rot. Bonds1

About (1R)-1-(2-fluoro-4-pyridinyl)-2,2-dimethylpropan-1-amine

(1R)-1-(2-fluoro-4-pyridinyl)-2,2-dimethylpropan-1-amine (PubChem CID 130741004) has the molecular formula C10H15FN2 and a molecular weight of 182.24 g/mol. Its IUPAC name is (1R)-1-(2-fluoro-4-pyridinyl)-2,2-dimethylpropan-1-amine.

Molecular Properties

Compound Name(1R)-1-(2-fluoro-4-pyridinyl)-2,2-dimethylpropan-1-amine
PubChem CID130741004
Molecular FormulaC10H15FN2
Molecular Weight182.24 g/mol
Exact Mass182.12
IUPAC Name(1R)-1-(2-fluoro-4-pyridinyl)-2,2-dimethylpropan-1-amine
SMILESCC(C)(C)[C@@H](N)c1ccnc(F)c1
InChIInChI=1S/C10H15FN2/c1-10(2,3)9(12)7-4-5-13-8(11)6-7/h4-6,9H,12H2,1-3H3/t9-/m0/s1
InChIKeyBVHLCTJJBXCRLD-VIFPVBQESA-N
XLogP2.27
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.24
LogP ≤ 52.27
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

(2-fluoro-4-pyridinyl)methanediamine
CID 146521385
(2S)-2-amino-2-(2-fluoro-4-pyridinyl)ethanol
CID 55262980
(2R)-2-amino-2-(2-fluoro-4-pyridinyl)ethanol
CID 130829259
(1R)-1-(2-methoxy-4-pyridinyl)-2,2-dimethylpropan-1-amine
CID 130901703
(1S)-2,2-dimethyl-1-pyridin-4-ylpropan-1-amine
CID 94424618
(1R)-2,2-dimethyl-1-pyridin-4-ylpropan-1-amine;hydrochloride
CID 171246376
3-amino-3-(2-fluoro-4-pyridinyl)propanenitrile
CID 55293179
1,1-diphenylethyl-[1-(2-fluoro-4-pyridinyl)ethyl]diazene
CID 123354235
2-amino-2-(2-fluoro-4-pyridinyl)-1-phenylethanol
CID 20743450
2-cyclopropyl-1-(2-fluoro-4-pyridinyl)ethanamine
CID 55292884
3-(2-fluoro-4-pyridinyl)-2,3-dihydroxypropanenitrile
CID 171869715
3-(2-fluoro-4-pyridinyl)-2,3-dihydroxypropanoic acid
CID 170823466

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(2-fluoro-4-pyridinyl)-2,2-dimethylpropan-1-amine?
The IUPAC name of (1R)-1-(2-fluoro-4-pyridinyl)-2,2-dimethylpropan-1-amine (CID 130741004) is (1R)-1-(2-fluoro-4-pyridinyl)-2,2-dimethylpropan-1-amine.
What is the SMILES notation for (1R)-1-(2-fluoro-4-pyridinyl)-2,2-dimethylpropan-1-amine?
The canonical SMILES for (1R)-1-(2-fluoro-4-pyridinyl)-2,2-dimethylpropan-1-amine is CC(C)(C)[C@@H](N)c1ccnc(F)c1.
What is the InChIKey of (1R)-1-(2-fluoro-4-pyridinyl)-2,2-dimethylpropan-1-amine?
The InChIKey is BVHLCTJJBXCRLD-VIFPVBQESA-N. The full InChI is InChI=1S/C10H15FN2/c1-10(2,3)9(12)7-4-5-13-8(11)6-7/h4-6,9H,12H2,1-3H3/t9-/m0/s1.
What are the key properties of (1R)-1-(2-fluoro-4-pyridinyl)-2,2-dimethylpropan-1-amine?
(1R)-1-(2-fluoro-4-pyridinyl)-2,2-dimethylpropan-1-amine has a molecular weight of 182.24 g/mol, XLogP of 2.27, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(2-fluoro-4-pyridinyl)-2,2-dimethylpropan-1-amine is sourced from PubChem (CID 130741004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).