2-fluoro-3-methoxy-N-methylbutan-1-amine

C6H14FNO — CID 143945286

IUPAC2-fluoro-3-methoxy-N-methylbutan-1-amine
SMILESCNCC(F)C(C)OC
InChIInChI=1S/C6H14FNO/c1-5(9-3)6(7)4-8-2/h5-6,8H,4H2,1-3H3
InChIKeyFTVUNCMIWNJOGV-UHFFFAOYSA-N
MW135.18 g/mol
LogP0.58
Rot. Bonds4

About 2-fluoro-3-methoxy-N-methylbutan-1-amine

2-fluoro-3-methoxy-N-methylbutan-1-amine (PubChem CID 143945286) has the molecular formula C6H14FNO and a molecular weight of 135.18 g/mol. Its IUPAC name is 2-fluoro-3-methoxy-N-methylbutan-1-amine.

Molecular Properties

Compound Name2-fluoro-3-methoxy-N-methylbutan-1-amine
PubChem CID143945286
Molecular FormulaC6H14FNO
Molecular Weight135.18 g/mol
Exact Mass135.11
IUPAC Name2-fluoro-3-methoxy-N-methylbutan-1-amine
SMILESCNCC(F)C(C)OC
InChIInChI=1S/C6H14FNO/c1-5(9-3)6(7)4-8-2/h5-6,8H,4H2,1-3H3
InChIKeyFTVUNCMIWNJOGV-UHFFFAOYSA-N
XLogP0.58
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.18
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-methoxy-N-methylbutan-1-amine?
The IUPAC name of 2-fluoro-3-methoxy-N-methylbutan-1-amine (CID 143945286) is 2-fluoro-3-methoxy-N-methylbutan-1-amine.
What is the SMILES notation for 2-fluoro-3-methoxy-N-methylbutan-1-amine?
The canonical SMILES for 2-fluoro-3-methoxy-N-methylbutan-1-amine is CNCC(F)C(C)OC.
What is the InChIKey of 2-fluoro-3-methoxy-N-methylbutan-1-amine?
The InChIKey is FTVUNCMIWNJOGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14FNO/c1-5(9-3)6(7)4-8-2/h5-6,8H,4H2,1-3H3.
What are the key properties of 2-fluoro-3-methoxy-N-methylbutan-1-amine?
2-fluoro-3-methoxy-N-methylbutan-1-amine has a molecular weight of 135.18 g/mol, XLogP of 0.58, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-methoxy-N-methylbutan-1-amine is sourced from PubChem (CID 143945286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).