1-(3-fluoro-4-pyridinyl)-2,2-dimethylbutan-1-amine

C11H17FN2 — CID 105038344

IUPAC1-(3-fluoro-4-pyridinyl)-2,2-dimethylbutan-1-amine
SMILESCCC(C)(C)C(N)c1ccncc1F
InChIInChI=1S/C11H17FN2/c1-4-11(2,3)10(13)8-5-6-14-7-9(8)12/h5-7,10H,4,13H2,1-3H3
InChIKeyXYWHPKGPZGSLRO-UHFFFAOYSA-N
MW196.27 g/mol
LogP2.66
Rot. Bonds3

About 1-(3-fluoro-4-pyridinyl)-2,2-dimethylbutan-1-amine

1-(3-fluoro-4-pyridinyl)-2,2-dimethylbutan-1-amine (PubChem CID 105038344) has the molecular formula C11H17FN2 and a molecular weight of 196.27 g/mol. Its IUPAC name is 1-(3-fluoro-4-pyridinyl)-2,2-dimethylbutan-1-amine.

Molecular Properties

Compound Name1-(3-fluoro-4-pyridinyl)-2,2-dimethylbutan-1-amine
PubChem CID105038344
Molecular FormulaC11H17FN2
Molecular Weight196.27 g/mol
Exact Mass196.14
IUPAC Name1-(3-fluoro-4-pyridinyl)-2,2-dimethylbutan-1-amine
SMILESCCC(C)(C)C(N)c1ccncc1F
InChIInChI=1S/C11H17FN2/c1-4-11(2,3)10(13)8-5-6-14-7-9(8)12/h5-7,10H,4,13H2,1-3H3
InChIKeyXYWHPKGPZGSLRO-UHFFFAOYSA-N
XLogP2.66
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.27
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-fluoro-4-pyridinyl)-2-methyl-2-pyrrolidin-1-ylbutan-1-amine
CID 113447268
1-(3-fluoro-4-pyridinyl)-2-methyl-2-piperidin-1-ylbutan-1-amine
CID 104738438
1-(4-chloro-2-fluorophenyl)-2,2-dimethylbutan-1-amine
CID 105022655
(2-tert-butylphenyl)-(3-fluoro-4-pyridinyl)methanamine
CID 105038455
1-(3-fluoro-4-pyridinyl)butane-1,2-diol
CID 103454633
2-(3-fluoro-4-pyridinyl)propan-1-amine
CID 84649949
2-(3-fluoro-4-pyridinyl)propan-1-amine;hydrochloride
CID 84662951
1-N-ethyl-1-(3-fluoro-4-pyridinyl)-2-N,2-N,2-trimethylbutane-1,2-diamine
CID 104738429
(1S)-2,2-dimethyl-1-(3-methyl-4-pyridinyl)propan-1-amine
CID 130039959
[2-ethyl-1-(3-fluoro-4-pyridinyl)butyl]hydrazine
CID 105258507
1-(3-fluoro-4-pyridinyl)ethanethiol
CID 89277032
1-(3-fluoro-4-pyridinyl)prop-2-en-1-amine
CID 55295239

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-pyridinyl)-2,2-dimethylbutan-1-amine?
The IUPAC name of 1-(3-fluoro-4-pyridinyl)-2,2-dimethylbutan-1-amine (CID 105038344) is 1-(3-fluoro-4-pyridinyl)-2,2-dimethylbutan-1-amine.
What is the SMILES notation for 1-(3-fluoro-4-pyridinyl)-2,2-dimethylbutan-1-amine?
The canonical SMILES for 1-(3-fluoro-4-pyridinyl)-2,2-dimethylbutan-1-amine is CCC(C)(C)C(N)c1ccncc1F.
What is the InChIKey of 1-(3-fluoro-4-pyridinyl)-2,2-dimethylbutan-1-amine?
The InChIKey is XYWHPKGPZGSLRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17FN2/c1-4-11(2,3)10(13)8-5-6-14-7-9(8)12/h5-7,10H,4,13H2,1-3H3.
What are the key properties of 1-(3-fluoro-4-pyridinyl)-2,2-dimethylbutan-1-amine?
1-(3-fluoro-4-pyridinyl)-2,2-dimethylbutan-1-amine has a molecular weight of 196.27 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-4-pyridinyl)-2,2-dimethylbutan-1-amine is sourced from PubChem (CID 105038344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).