N-[2-fluoro-2-(oxan-3-yl)ethyl]-2-methylpropan-2-amine

C11H22FNO — CID 107446507

IUPACN-[2-fluoro-2-(oxan-3-yl)ethyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCC(F)C1CCCOC1
InChIInChI=1S/C11H22FNO/c1-11(2,3)13-7-10(12)9-5-4-6-14-8-9/h9-10,13H,4-8H2,1-3H3
InChIKeyVMJGITHATGCUAG-UHFFFAOYSA-N
MW203.30 g/mol
LogP2.14
Rot. Bonds3

About N-[2-fluoro-2-(oxan-3-yl)ethyl]-2-methylpropan-2-amine

N-[2-fluoro-2-(oxan-3-yl)ethyl]-2-methylpropan-2-amine (PubChem CID 107446507) has the molecular formula C11H22FNO and a molecular weight of 203.30 g/mol. Its IUPAC name is N-[2-fluoro-2-(oxan-3-yl)ethyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[2-fluoro-2-(oxan-3-yl)ethyl]-2-methylpropan-2-amine
PubChem CID107446507
Molecular FormulaC11H22FNO
Molecular Weight203.30 g/mol
Exact Mass203.17
IUPAC NameN-[2-fluoro-2-(oxan-3-yl)ethyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCC(F)C1CCCOC1
InChIInChI=1S/C11H22FNO/c1-11(2,3)13-7-10(12)9-5-4-6-14-8-9/h9-10,13H,4-8H2,1-3H3
InChIKeyVMJGITHATGCUAG-UHFFFAOYSA-N
XLogP2.14
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.30
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(3-Methoxypropyl)piperidine
CID 28063684
3-(2-Methoxyethyl)piperidine
CID 23152716
Tert-butyl[(oxan-4-yl)methyl]amine hydrochloride
CID 165942072
2-Methyl-N-((tetrahydro-2H-pyran-4-yl)methyl)propan-2-amine
CID 59743283
N-ethyl-2,2,2-trifluoro-1-(oxan-4-yl)ethanamine
CID 66204343
4-[[(2S)-2-fluoropropoxy]methyl]piperidine
CID 89688416
4-(Ethoxymethyl)-3-fluoropiperidine
CID 90165369
N-[(4-fluorooxan-4-yl)methyl]-2-methylpropan-2-amine
CID 134166296
4-[3-(4,4,4-Trifluorobutoxy)propyl]piperidine
CID 143045251
N-[(4-fluorooxan-4-yl)methyl]-2-methylpropan-1-amine
CID 146329042
(1S)-N-ethyl-2,2,2-trifluoro-1-(oxan-4-yl)ethanamine
CID 146615373
N-[(1R)-2,2,2-trifluoro-1-(oxan-4-yl)ethyl]propan-2-amine
CID 146615375

Frequently Asked Questions

What is the IUPAC name of N-[2-fluoro-2-(oxan-3-yl)ethyl]-2-methylpropan-2-amine?
The IUPAC name of N-[2-fluoro-2-(oxan-3-yl)ethyl]-2-methylpropan-2-amine (CID 107446507) is N-[2-fluoro-2-(oxan-3-yl)ethyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[2-fluoro-2-(oxan-3-yl)ethyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[2-fluoro-2-(oxan-3-yl)ethyl]-2-methylpropan-2-amine is CC(C)(C)NCC(F)C1CCCOC1.
What is the InChIKey of N-[2-fluoro-2-(oxan-3-yl)ethyl]-2-methylpropan-2-amine?
The InChIKey is VMJGITHATGCUAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22FNO/c1-11(2,3)13-7-10(12)9-5-4-6-14-8-9/h9-10,13H,4-8H2,1-3H3.
What are the key properties of N-[2-fluoro-2-(oxan-3-yl)ethyl]-2-methylpropan-2-amine?
N-[2-fluoro-2-(oxan-3-yl)ethyl]-2-methylpropan-2-amine has a molecular weight of 203.30 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-fluoro-2-(oxan-3-yl)ethyl]-2-methylpropan-2-amine is sourced from PubChem (CID 107446507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).