2-fluoro-2-(5-propan-2-yloxy-3-pyridinyl)butan-1-amine

C12H19FN2O — CID 112565916

IUPAC2-fluoro-2-(5-propan-2-yloxy-3-pyridinyl)butan-1-amine
SMILESCCC(F)(CN)c1cncc(OC(C)C)c1
InChIInChI=1S/C12H19FN2O/c1-4-12(13,8-14)10-5-11(7-15-6-10)16-9(2)3/h5-7,9H,4,8,14H2,1-3H3
InChIKeyKSWNPZOVECFABM-UHFFFAOYSA-N
MW226.30 g/mol
LogP2.40
Rot. Bonds5

About 2-fluoro-2-(5-propan-2-yloxy-3-pyridinyl)butan-1-amine

2-fluoro-2-(5-propan-2-yloxy-3-pyridinyl)butan-1-amine (PubChem CID 112565916) has the molecular formula C12H19FN2O and a molecular weight of 226.30 g/mol. Its IUPAC name is 2-fluoro-2-(5-propan-2-yloxy-3-pyridinyl)butan-1-amine.

Molecular Properties

Compound Name2-fluoro-2-(5-propan-2-yloxy-3-pyridinyl)butan-1-amine
PubChem CID112565916
Molecular FormulaC12H19FN2O
Molecular Weight226.30 g/mol
Exact Mass226.15
IUPAC Name2-fluoro-2-(5-propan-2-yloxy-3-pyridinyl)butan-1-amine
SMILESCCC(F)(CN)c1cncc(OC(C)C)c1
InChIInChI=1S/C12H19FN2O/c1-4-12(13,8-14)10-5-11(7-15-6-10)16-9(2)3/h5-7,9H,4,8,14H2,1-3H3
InChIKeyKSWNPZOVECFABM-UHFFFAOYSA-N
XLogP2.40
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-ethoxy-3-pyridinyl)-2-fluorobutan-1-amine
CID 112566125
2-fluoro-2-(3-propan-2-yloxyphenyl)pentan-1-amine
CID 112567781
2-fluoro-2-(5-methoxy-3-pyridinyl)-3,3-dimethylbutan-1-amine
CID 112566577
2-amino-2-ethyl-1-(5-propan-2-yloxy-3-pyridinyl)butan-1-one
CID 116592678
2-fluoro-2-(2-propan-2-yloxyphenyl)butan-1-amine
CID 112566082
4-(5-ethoxy-3-pyridinyl)-4-fluoro-5-methoxypentan-1-amine
CID 103392693
2-(5-ethoxy-3-pyridinyl)-2-fluoro-2-phenylethanamine
CID 112566360
1-hydrazinyl-N,N,2-trimethyl-1-(5-propan-2-yloxy-3-pyridinyl)butan-2-amine
CID 105240684
2-ethoxy-2-methyl-1-(5-propan-2-yloxy-3-pyridinyl)butan-1-ol
CID 116752280
2-ethoxy-3,3-dimethyl-1-(5-propan-2-yloxy-3-pyridinyl)butan-1-amine
CID 116725313
4-amino-2-methyl-1-(5-propan-2-yloxy-3-pyridinyl)butan-1-one
CID 116594885
2-fluoro-3-methyl-2-pyrimidin-5-ylbutan-1-amine
CID 112566871

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2-(5-propan-2-yloxy-3-pyridinyl)butan-1-amine?
The IUPAC name of 2-fluoro-2-(5-propan-2-yloxy-3-pyridinyl)butan-1-amine (CID 112565916) is 2-fluoro-2-(5-propan-2-yloxy-3-pyridinyl)butan-1-amine.
What is the SMILES notation for 2-fluoro-2-(5-propan-2-yloxy-3-pyridinyl)butan-1-amine?
The canonical SMILES for 2-fluoro-2-(5-propan-2-yloxy-3-pyridinyl)butan-1-amine is CCC(F)(CN)c1cncc(OC(C)C)c1.
What is the InChIKey of 2-fluoro-2-(5-propan-2-yloxy-3-pyridinyl)butan-1-amine?
The InChIKey is KSWNPZOVECFABM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19FN2O/c1-4-12(13,8-14)10-5-11(7-15-6-10)16-9(2)3/h5-7,9H,4,8,14H2,1-3H3.
What are the key properties of 2-fluoro-2-(5-propan-2-yloxy-3-pyridinyl)butan-1-amine?
2-fluoro-2-(5-propan-2-yloxy-3-pyridinyl)butan-1-amine has a molecular weight of 226.30 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2-(5-propan-2-yloxy-3-pyridinyl)butan-1-amine is sourced from PubChem (CID 112565916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).