N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]-2,3-dimethyloxolan-3-amine

C14H18BrF2NO2 — CID 103581455

IUPACN-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]-2,3-dimethyloxolan-3-amine
SMILESCC1OCCC1(C)NCc1cc(Br)ccc1OC(F)F
InChIInChI=1S/C14H18BrF2NO2/c1-9-14(2,5-6-19-9)18-8-10-7-11(15)3-4-12(10)20-13(16)17/h3-4,7,9,13,18H,5-6,8H2,1-2H3
InChIKeyJAVJCKURFYKEFC-UHFFFAOYSA-N
MW350.20 g/mol
LogP3.71
Rot. Bonds5

About N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]-2,3-dimethyloxolan-3-amine

N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]-2,3-dimethyloxolan-3-amine (PubChem CID 103581455) has the molecular formula C14H18BrF2NO2 and a molecular weight of 350.20 g/mol. Its IUPAC name is N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]-2,3-dimethyloxolan-3-amine.

Molecular Properties

Compound NameN-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]-2,3-dimethyloxolan-3-amine
PubChem CID103581455
Molecular FormulaC14H18BrF2NO2
Molecular Weight350.20 g/mol
Exact Mass349.05
IUPAC NameN-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]-2,3-dimethyloxolan-3-amine
SMILESCC1OCCC1(C)NCc1cc(Br)ccc1OC(F)F
InChIInChI=1S/C14H18BrF2NO2/c1-9-14(2,5-6-19-9)18-8-10-7-11(15)3-4-12(10)20-13(16)17/h3-4,7,9,13,18H,5-6,8H2,1-2H3
InChIKeyJAVJCKURFYKEFC-UHFFFAOYSA-N
XLogP3.71
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.20
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]-2,3-dimethyloxolan-3-amine?
The IUPAC name of N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]-2,3-dimethyloxolan-3-amine (CID 103581455) is N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]-2,3-dimethyloxolan-3-amine.
What is the SMILES notation for N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]-2,3-dimethyloxolan-3-amine?
The canonical SMILES for N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]-2,3-dimethyloxolan-3-amine is CC1OCCC1(C)NCc1cc(Br)ccc1OC(F)F.
What is the InChIKey of N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]-2,3-dimethyloxolan-3-amine?
The InChIKey is JAVJCKURFYKEFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrF2NO2/c1-9-14(2,5-6-19-9)18-8-10-7-11(15)3-4-12(10)20-13(16)17/h3-4,7,9,13,18H,5-6,8H2,1-2H3.
What are the key properties of N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]-2,3-dimethyloxolan-3-amine?
N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]-2,3-dimethyloxolan-3-amine has a molecular weight of 350.20 g/mol, XLogP of 3.71, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]-2,3-dimethyloxolan-3-amine is sourced from PubChem (CID 103581455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).