2-[3,4-dihydro-2H-pyran-6-yl(fluoro)methyl]-3-methylbutan-1-amine

C11H20FNO — CID 107443565

IUPAC2-[3,4-dihydro-2H-pyran-6-yl(fluoro)methyl]-3-methylbutan-1-amine
SMILESCC(C)C(CN)C(F)C1=CCCCO1
InChIInChI=1S/C11H20FNO/c1-8(2)9(7-13)11(12)10-5-3-4-6-14-10/h5,8-9,11H,3-4,6-7,13H2,1-2H3
InChIKeyAPVIKZAGANNMES-UHFFFAOYSA-N
MW201.28 g/mol
LogP2.25
Rot. Bonds4

About 2-[3,4-dihydro-2H-pyran-6-yl(fluoro)methyl]-3-methylbutan-1-amine

2-[3,4-dihydro-2H-pyran-6-yl(fluoro)methyl]-3-methylbutan-1-amine (PubChem CID 107443565) has the molecular formula C11H20FNO and a molecular weight of 201.28 g/mol. Its IUPAC name is 2-[3,4-dihydro-2H-pyran-6-yl(fluoro)methyl]-3-methylbutan-1-amine.

Molecular Properties

Compound Name2-[3,4-dihydro-2H-pyran-6-yl(fluoro)methyl]-3-methylbutan-1-amine
PubChem CID107443565
Molecular FormulaC11H20FNO
Molecular Weight201.28 g/mol
Exact Mass201.15
IUPAC Name2-[3,4-dihydro-2H-pyran-6-yl(fluoro)methyl]-3-methylbutan-1-amine
SMILESCC(C)C(CN)C(F)C1=CCCCO1
InChIInChI=1S/C11H20FNO/c1-8(2)9(7-13)11(12)10-5-3-4-6-14-10/h5,8-9,11H,3-4,6-7,13H2,1-2H3
InChIKeyAPVIKZAGANNMES-UHFFFAOYSA-N
XLogP2.25
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.28
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[5-(3,3-Difluorobutoxy)-6-fluoro-6-methylcyclohexa-2,4-dien-1-yl]methanamine
CID 163461887
(5-Fluoro-2,3,3a,4-tetrahydro-1-benzofuran-4-yl)methanamine
CID 163777043
2-(3,4-dihydro-2H-pyran-6-yl)-2-fluoro-3-methylbutan-1-amine
CID 102648255
2-(3,4-dihydro-2H-pyran-6-yl)-2-fluoropentan-1-amine
CID 102648258
2-[2,3-Dihydrofuran-5-yl(fluoro)methyl]-3-methylbutan-1-amine
CID 107443766
3-(3,4-dihydro-2H-pyran-6-yl)-3-fluoro-2-methylpropan-1-amine
CID 130604666
4-[(6-Methylcyclohex-3-en-1-yl)methoxy]pentan-1-amine
CID 62455553
4-[(6-Methylcyclohex-3-en-1-yl)methoxy]butan-1-amine
CID 62455921
1-(3,4-dihydro-2H-pyran-6-yl)-2,3-dimethylbutan-1-amine
CID 102648986

Frequently Asked Questions

What is the IUPAC name of 2-[3,4-dihydro-2H-pyran-6-yl(fluoro)methyl]-3-methylbutan-1-amine?
The IUPAC name of 2-[3,4-dihydro-2H-pyran-6-yl(fluoro)methyl]-3-methylbutan-1-amine (CID 107443565) is 2-[3,4-dihydro-2H-pyran-6-yl(fluoro)methyl]-3-methylbutan-1-amine.
What is the SMILES notation for 2-[3,4-dihydro-2H-pyran-6-yl(fluoro)methyl]-3-methylbutan-1-amine?
The canonical SMILES for 2-[3,4-dihydro-2H-pyran-6-yl(fluoro)methyl]-3-methylbutan-1-amine is CC(C)C(CN)C(F)C1=CCCCO1.
What is the InChIKey of 2-[3,4-dihydro-2H-pyran-6-yl(fluoro)methyl]-3-methylbutan-1-amine?
The InChIKey is APVIKZAGANNMES-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20FNO/c1-8(2)9(7-13)11(12)10-5-3-4-6-14-10/h5,8-9,11H,3-4,6-7,13H2,1-2H3.
What are the key properties of 2-[3,4-dihydro-2H-pyran-6-yl(fluoro)methyl]-3-methylbutan-1-amine?
2-[3,4-dihydro-2H-pyran-6-yl(fluoro)methyl]-3-methylbutan-1-amine has a molecular weight of 201.28 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,4-dihydro-2H-pyran-6-yl(fluoro)methyl]-3-methylbutan-1-amine is sourced from PubChem (CID 107443565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).