N-[2-fluoro-3-(oxan-4-yl)propyl]-2-methylpropan-2-amine

C12H24FNO — CID 107446546

IUPACN-[2-fluoro-3-(oxan-4-yl)propyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCC(F)CC1CCOCC1
InChIInChI=1S/C12H24FNO/c1-12(2,3)14-9-11(13)8-10-4-6-15-7-5-10/h10-11,14H,4-9H2,1-3H3
InChIKeyJMTUWIYJCRTMDX-UHFFFAOYSA-N
MW217.33 g/mol
LogP2.53
Rot. Bonds4

About N-[2-fluoro-3-(oxan-4-yl)propyl]-2-methylpropan-2-amine

N-[2-fluoro-3-(oxan-4-yl)propyl]-2-methylpropan-2-amine (PubChem CID 107446546) has the molecular formula C12H24FNO and a molecular weight of 217.33 g/mol. Its IUPAC name is N-[2-fluoro-3-(oxan-4-yl)propyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[2-fluoro-3-(oxan-4-yl)propyl]-2-methylpropan-2-amine
PubChem CID107446546
Molecular FormulaC12H24FNO
Molecular Weight217.33 g/mol
Exact Mass217.18
IUPAC NameN-[2-fluoro-3-(oxan-4-yl)propyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCC(F)CC1CCOCC1
InChIInChI=1S/C12H24FNO/c1-12(2,3)14-9-11(13)8-10-4-6-15-7-5-10/h10-11,14H,4-9H2,1-3H3
InChIKeyJMTUWIYJCRTMDX-UHFFFAOYSA-N
XLogP2.53
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.33
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-fluoro-3-(oxan-4-yl)propyl]-2-methylpropan-2-amine?
The IUPAC name of N-[2-fluoro-3-(oxan-4-yl)propyl]-2-methylpropan-2-amine (CID 107446546) is N-[2-fluoro-3-(oxan-4-yl)propyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[2-fluoro-3-(oxan-4-yl)propyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[2-fluoro-3-(oxan-4-yl)propyl]-2-methylpropan-2-amine is CC(C)(C)NCC(F)CC1CCOCC1.
What is the InChIKey of N-[2-fluoro-3-(oxan-4-yl)propyl]-2-methylpropan-2-amine?
The InChIKey is JMTUWIYJCRTMDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24FNO/c1-12(2,3)14-9-11(13)8-10-4-6-15-7-5-10/h10-11,14H,4-9H2,1-3H3.
What are the key properties of N-[2-fluoro-3-(oxan-4-yl)propyl]-2-methylpropan-2-amine?
N-[2-fluoro-3-(oxan-4-yl)propyl]-2-methylpropan-2-amine has a molecular weight of 217.33 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-fluoro-3-(oxan-4-yl)propyl]-2-methylpropan-2-amine is sourced from PubChem (CID 107446546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).