2-fluoro-2-(5-methoxy-3-pyridinyl)-3,3-dimethylbutan-1-amine

C12H19FN2O — CID 112566577

IUPAC2-fluoro-2-(5-methoxy-3-pyridinyl)-3,3-dimethylbutan-1-amine
SMILESCOc1cncc(C(F)(CN)C(C)(C)C)c1
InChIInChI=1S/C12H19FN2O/c1-11(2,3)12(13,8-14)9-5-10(16-4)7-15-6-9/h5-7H,8,14H2,1-4H3
InChIKeyUSPOKWSXUJBIGK-UHFFFAOYSA-N
MW226.29 g/mol
LogP2.26
Rot. Bonds3

About 2-fluoro-2-(5-methoxy-3-pyridinyl)-3,3-dimethylbutan-1-amine

2-fluoro-2-(5-methoxy-3-pyridinyl)-3,3-dimethylbutan-1-amine (PubChem CID 112566577) has the molecular formula C12H19FN2O and a molecular weight of 226.29 g/mol. Its IUPAC name is 2-fluoro-2-(5-methoxy-3-pyridinyl)-3,3-dimethylbutan-1-amine.

Molecular Properties

Compound Name2-fluoro-2-(5-methoxy-3-pyridinyl)-3,3-dimethylbutan-1-amine
PubChem CID112566577
Molecular FormulaC12H19FN2O
Molecular Weight226.29 g/mol
Exact Mass226.15
IUPAC Name2-fluoro-2-(5-methoxy-3-pyridinyl)-3,3-dimethylbutan-1-amine
SMILESCOc1cncc(C(F)(CN)C(C)(C)C)c1
InChIInChI=1S/C12H19FN2O/c1-11(2,3)12(13,8-14)9-5-10(16-4)7-15-6-9/h5-7H,8,14H2,1-4H3
InChIKeyUSPOKWSXUJBIGK-UHFFFAOYSA-N
XLogP2.26
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.29
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-tert-butyl-5-methoxypyridine
CID 21031507
ethane;3-methoxy-5-(trifluoromethyl)pyridine
CID 176999703
3-[2-(disulfanyl)propan-2-yl]-5-methoxypyridine
CID 139548397
3-methoxy-5-(2-methylhexan-2-yl)pyridine
CID 130238683
2-fluoro-2-(5-propan-2-yloxy-3-pyridinyl)butan-1-amine
CID 112565916
1-(3-fluorophenyl)-1-(5-methoxy-3-pyridinyl)propan-1-amine
CID 114872623
2-(5-ethoxy-3-pyridinyl)-2-fluorobutan-1-amine
CID 112566125
2-(5-ethoxy-3-pyridinyl)-2-fluoro-2-phenylethanamine
CID 112566360
4-(5-ethoxy-3-pyridinyl)-4-fluoro-5-methoxypentan-1-amine
CID 103392693
1-(5-methoxy-3-pyridinyl)-2,2-dimethylbutan-1-amine
CID 105026104
1-(2-fluoropropan-2-yl)-3,5-dimethoxybenzene
CID 90993757
3-tert-butyl-5-(2,2-difluoroethoxy)pyridine
CID 167245615

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2-(5-methoxy-3-pyridinyl)-3,3-dimethylbutan-1-amine?
The IUPAC name of 2-fluoro-2-(5-methoxy-3-pyridinyl)-3,3-dimethylbutan-1-amine (CID 112566577) is 2-fluoro-2-(5-methoxy-3-pyridinyl)-3,3-dimethylbutan-1-amine.
What is the SMILES notation for 2-fluoro-2-(5-methoxy-3-pyridinyl)-3,3-dimethylbutan-1-amine?
The canonical SMILES for 2-fluoro-2-(5-methoxy-3-pyridinyl)-3,3-dimethylbutan-1-amine is COc1cncc(C(F)(CN)C(C)(C)C)c1.
What is the InChIKey of 2-fluoro-2-(5-methoxy-3-pyridinyl)-3,3-dimethylbutan-1-amine?
The InChIKey is USPOKWSXUJBIGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19FN2O/c1-11(2,3)12(13,8-14)9-5-10(16-4)7-15-6-9/h5-7H,8,14H2,1-4H3.
What are the key properties of 2-fluoro-2-(5-methoxy-3-pyridinyl)-3,3-dimethylbutan-1-amine?
2-fluoro-2-(5-methoxy-3-pyridinyl)-3,3-dimethylbutan-1-amine has a molecular weight of 226.29 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2-(5-methoxy-3-pyridinyl)-3,3-dimethylbutan-1-amine is sourced from PubChem (CID 112566577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).