N-[[5-bromo-2-(2,2-difluoroethoxy)phenyl]methyl]oxolan-3-amine

C13H16BrF2NO2 — CID 176514402

IUPACN-[[5-bromo-2-(2,2-difluoroethoxy)phenyl]methyl]oxolan-3-amine
SMILESFC(F)COc1ccc(Br)cc1CNC1CCOC1
InChIInChI=1S/C13H16BrF2NO2/c14-10-1-2-12(19-8-13(15)16)9(5-10)6-17-11-3-4-18-7-11/h1-2,5,11,13,17H,3-4,6-8H2
InChIKeyIYLJVYCNZWOIAB-UHFFFAOYSA-N
MW336.18 g/mol
LogP2.97
Rot. Bonds6

About N-[[5-bromo-2-(2,2-difluoroethoxy)phenyl]methyl]oxolan-3-amine

N-[[5-bromo-2-(2,2-difluoroethoxy)phenyl]methyl]oxolan-3-amine (PubChem CID 176514402) has the molecular formula C13H16BrF2NO2 and a molecular weight of 336.18 g/mol. Its IUPAC name is N-[[5-bromo-2-(2,2-difluoroethoxy)phenyl]methyl]oxolan-3-amine.

Molecular Properties

Compound NameN-[[5-bromo-2-(2,2-difluoroethoxy)phenyl]methyl]oxolan-3-amine
PubChem CID176514402
Molecular FormulaC13H16BrF2NO2
Molecular Weight336.18 g/mol
Exact Mass335.03
IUPAC NameN-[[5-bromo-2-(2,2-difluoroethoxy)phenyl]methyl]oxolan-3-amine
SMILESFC(F)COc1ccc(Br)cc1CNC1CCOC1
InChIInChI=1S/C13H16BrF2NO2/c14-10-1-2-12(19-8-13(15)16)9(5-10)6-17-11-3-4-18-7-11/h1-2,5,11,13,17H,3-4,6-8H2
InChIKeyIYLJVYCNZWOIAB-UHFFFAOYSA-N
XLogP2.97
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.18
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[5-bromo-2-(2,2-difluoroethoxy)phenyl]methyl]oxolan-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(5-bromo-2-methoxyphenyl)methyl]oxan-3-amine
CID 63360472
N-[(4-bromo-2-chlorophenyl)methyl]oxolan-3-amine
CID 115688940
4-bromo-2-[(oxan-3-ylamino)methyl]phenol;hydrochloride
CID 115616396
N-[(5-bromo-2-chlorophenyl)methyl]oxan-4-amine
CID 115732123
N-[[5-bromo-2-(2,2-difluoroethoxy)phenyl]methyl]butan-1-amine
CID 176514391
tert-butyl N-[[5-bromo-2-(2,2-difluoroethoxy)phenyl]methyl]-N-(oxan-4-yl)carbamate
CID 176514409
N-[[5-bromo-2-[(4-fluorophenyl)methoxy]phenyl]methyl]cyclohexanamine
CID 4721508
2-[4-bromo-2-[(cyclopropylamino)methyl]phenoxy]acetonitrile
CID 60883120
N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]-1-(oxolan-3-yl)ethanamine
CID 115889295
N-[(5-bromo-2-methoxyphenyl)methyl]cycloheptanamine
CID 792004
N-[[5-bromo-2-(4-methoxybutoxy)phenyl]methyl]cyclopropanamine
CID 104646884
N-[(5-bromo-2-prop-2-ynoxyphenyl)methyl]cyclobutanamine
CID 62415523

Frequently Asked Questions

What is the IUPAC name of N-[[5-bromo-2-(2,2-difluoroethoxy)phenyl]methyl]oxolan-3-amine?
The IUPAC name of N-[[5-bromo-2-(2,2-difluoroethoxy)phenyl]methyl]oxolan-3-amine (CID 176514402) is N-[[5-bromo-2-(2,2-difluoroethoxy)phenyl]methyl]oxolan-3-amine.
What is the SMILES notation for N-[[5-bromo-2-(2,2-difluoroethoxy)phenyl]methyl]oxolan-3-amine?
The canonical SMILES for N-[[5-bromo-2-(2,2-difluoroethoxy)phenyl]methyl]oxolan-3-amine is FC(F)COc1ccc(Br)cc1CNC1CCOC1.
What is the InChIKey of N-[[5-bromo-2-(2,2-difluoroethoxy)phenyl]methyl]oxolan-3-amine?
The InChIKey is IYLJVYCNZWOIAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrF2NO2/c14-10-1-2-12(19-8-13(15)16)9(5-10)6-17-11-3-4-18-7-11/h1-2,5,11,13,17H,3-4,6-8H2.
What are the key properties of N-[[5-bromo-2-(2,2-difluoroethoxy)phenyl]methyl]oxolan-3-amine?
N-[[5-bromo-2-(2,2-difluoroethoxy)phenyl]methyl]oxolan-3-amine has a molecular weight of 336.18 g/mol, XLogP of 2.97, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-bromo-2-(2,2-difluoroethoxy)phenyl]methyl]oxolan-3-amine is sourced from PubChem (CID 176514402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).