N-[[2-(4-bromo-2-fluorophenyl)oxolan-3-yl]methyl]-2-methylpropan-2-amine

C15H21BrFNO — CID 79367897

IUPACN-[[2-(4-bromo-2-fluorophenyl)oxolan-3-yl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCC1CCOC1c1ccc(Br)cc1F
InChIInChI=1S/C15H21BrFNO/c1-15(2,3)18-9-10-6-7-19-14(10)12-5-4-11(16)8-13(12)17/h4-5,8,10,14,18H,6-7,9H2,1-3H3
InChIKeyJWSIABMAXRIETB-UHFFFAOYSA-N
MW330.24 g/mol
LogP4.05
Rot. Bonds3

About N-[[2-(4-bromo-2-fluorophenyl)oxolan-3-yl]methyl]-2-methylpropan-2-amine

N-[[2-(4-bromo-2-fluorophenyl)oxolan-3-yl]methyl]-2-methylpropan-2-amine (PubChem CID 79367897) has the molecular formula C15H21BrFNO and a molecular weight of 330.24 g/mol. Its IUPAC name is N-[[2-(4-bromo-2-fluorophenyl)oxolan-3-yl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[2-(4-bromo-2-fluorophenyl)oxolan-3-yl]methyl]-2-methylpropan-2-amine
PubChem CID79367897
Molecular FormulaC15H21BrFNO
Molecular Weight330.24 g/mol
Exact Mass329.08
IUPAC NameN-[[2-(4-bromo-2-fluorophenyl)oxolan-3-yl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCC1CCOC1c1ccc(Br)cc1F
InChIInChI=1S/C15H21BrFNO/c1-15(2,3)18-9-10-6-7-19-14(10)12-5-4-11(16)8-13(12)17/h4-5,8,10,14,18H,6-7,9H2,1-3H3
InChIKeyJWSIABMAXRIETB-UHFFFAOYSA-N
XLogP4.05
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.24
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(4-bromo-2-fluorophenyl)oxolan-3-yl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[2-(4-bromo-2-fluorophenyl)oxolan-3-yl]methyl]-2-methylpropan-2-amine (CID 79367897) is N-[[2-(4-bromo-2-fluorophenyl)oxolan-3-yl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[2-(4-bromo-2-fluorophenyl)oxolan-3-yl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[2-(4-bromo-2-fluorophenyl)oxolan-3-yl]methyl]-2-methylpropan-2-amine is CC(C)(C)NCC1CCOC1c1ccc(Br)cc1F.
What is the InChIKey of N-[[2-(4-bromo-2-fluorophenyl)oxolan-3-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is JWSIABMAXRIETB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrFNO/c1-15(2,3)18-9-10-6-7-19-14(10)12-5-4-11(16)8-13(12)17/h4-5,8,10,14,18H,6-7,9H2,1-3H3.
What are the key properties of N-[[2-(4-bromo-2-fluorophenyl)oxolan-3-yl]methyl]-2-methylpropan-2-amine?
N-[[2-(4-bromo-2-fluorophenyl)oxolan-3-yl]methyl]-2-methylpropan-2-amine has a molecular weight of 330.24 g/mol, XLogP of 4.05, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(4-bromo-2-fluorophenyl)oxolan-3-yl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 79367897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).