N-[2-(3,4-dihydro-2H-pyran-5-yl)-2-fluoroethyl]-2-methylpropan-2-amine

C11H20FNO — CID 107446859

IUPACN-[2-(3,4-dihydro-2H-pyran-5-yl)-2-fluoroethyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCC(F)C1=COCCC1
InChIInChI=1S/C11H20FNO/c1-11(2,3)13-7-10(12)9-5-4-6-14-8-9/h8,10,13H,4-7H2,1-3H3
InChIKeyJCZHRUMXHZZFCT-UHFFFAOYSA-N
MW201.28 g/mol
LogP2.41
Rot. Bonds3

About N-[2-(3,4-dihydro-2H-pyran-5-yl)-2-fluoroethyl]-2-methylpropan-2-amine

N-[2-(3,4-dihydro-2H-pyran-5-yl)-2-fluoroethyl]-2-methylpropan-2-amine (PubChem CID 107446859) has the molecular formula C11H20FNO and a molecular weight of 201.28 g/mol. Its IUPAC name is N-[2-(3,4-dihydro-2H-pyran-5-yl)-2-fluoroethyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[2-(3,4-dihydro-2H-pyran-5-yl)-2-fluoroethyl]-2-methylpropan-2-amine
PubChem CID107446859
Molecular FormulaC11H20FNO
Molecular Weight201.28 g/mol
Exact Mass201.15
IUPAC NameN-[2-(3,4-dihydro-2H-pyran-5-yl)-2-fluoroethyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCC(F)C1=COCCC1
InChIInChI=1S/C11H20FNO/c1-11(2,3)13-7-10(12)9-5-4-6-14-8-9/h8,10,13H,4-7H2,1-3H3
InChIKeyJCZHRUMXHZZFCT-UHFFFAOYSA-N
XLogP2.41
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.28
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(3,4-dihydro-2H-pyran-5-yl)-2,2-difluoroethyl]propan-1-amine
CID 103517059
1-(3,4-dihydro-2H-pyran-5-yl)-N-ethyl-2,2-difluoroethanamine
CID 103517060
1-(3,4-dihydro-2H-pyran-5-yl)-N-ethyl-2,2,2-trifluoroethanamine
CID 105033230
N-[1-(3,4-dihydro-2H-pyran-5-yl)-2,2,2-trifluoroethyl]propan-1-amine
CID 105033381
2-[3,4-dihydro-2H-pyran-5-yl(fluoro)methyl]piperidine
CID 106635094
2-[3,4-dihydro-2H-pyran-5-yl(fluoro)methyl]pyrrolidine
CID 106640584
1-(3,4-dihydro-2H-pyran-5-yl)-1-fluoro-N,2-dimethylpropan-2-amine
CID 130589730
1-(3,4-dihydro-2H-pyran-5-yl)-N-ethylethanamine
CID 104058607
N-[1-(3,4-dihydro-2H-pyran-5-yl)ethyl]propan-1-amine
CID 104058608
N-(3,4-dihydro-2H-pyran-5-ylmethyl)-2-methylpropan-2-amine
CID 104058862
N-tert-butyl-6-(3-methylbut-3-enoxy)hexan-1-amine
CID 113589848
6-methoxy-N-methyl-3-methylidenehexan-1-amine
CID 117268175

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dihydro-2H-pyran-5-yl)-2-fluoroethyl]-2-methylpropan-2-amine?
The IUPAC name of N-[2-(3,4-dihydro-2H-pyran-5-yl)-2-fluoroethyl]-2-methylpropan-2-amine (CID 107446859) is N-[2-(3,4-dihydro-2H-pyran-5-yl)-2-fluoroethyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[2-(3,4-dihydro-2H-pyran-5-yl)-2-fluoroethyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[2-(3,4-dihydro-2H-pyran-5-yl)-2-fluoroethyl]-2-methylpropan-2-amine is CC(C)(C)NCC(F)C1=COCCC1.
What is the InChIKey of N-[2-(3,4-dihydro-2H-pyran-5-yl)-2-fluoroethyl]-2-methylpropan-2-amine?
The InChIKey is JCZHRUMXHZZFCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20FNO/c1-11(2,3)13-7-10(12)9-5-4-6-14-8-9/h8,10,13H,4-7H2,1-3H3.
What are the key properties of N-[2-(3,4-dihydro-2H-pyran-5-yl)-2-fluoroethyl]-2-methylpropan-2-amine?
N-[2-(3,4-dihydro-2H-pyran-5-yl)-2-fluoroethyl]-2-methylpropan-2-amine has a molecular weight of 201.28 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dihydro-2H-pyran-5-yl)-2-fluoroethyl]-2-methylpropan-2-amine is sourced from PubChem (CID 107446859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).