N-(4-bromo-2,6-difluorophenyl)-2-methyloxolan-3-amine

C11H12BrF2NO — CID 82717356

IUPACN-(4-bromo-2,6-difluorophenyl)-2-methyloxolan-3-amine
SMILESCC1OCCC1Nc1c(F)cc(Br)cc1F
InChIInChI=1S/C11H12BrF2NO/c1-6-10(2-3-16-6)15-11-8(13)4-7(12)5-9(11)14/h4-6,10,15H,2-3H2,1H3
InChIKeyKSCIGIJFQARMOM-UHFFFAOYSA-N
MW292.12 g/mol
LogP3.32
Rot. Bonds2

About N-(4-bromo-2,6-difluorophenyl)-2-methyloxolan-3-amine

N-(4-bromo-2,6-difluorophenyl)-2-methyloxolan-3-amine (PubChem CID 82717356) has the molecular formula C11H12BrF2NO and a molecular weight of 292.12 g/mol. Its IUPAC name is N-(4-bromo-2,6-difluorophenyl)-2-methyloxolan-3-amine.

Molecular Properties

Compound NameN-(4-bromo-2,6-difluorophenyl)-2-methyloxolan-3-amine
PubChem CID82717356
Molecular FormulaC11H12BrF2NO
Molecular Weight292.12 g/mol
Exact Mass291.01
IUPAC NameN-(4-bromo-2,6-difluorophenyl)-2-methyloxolan-3-amine
SMILESCC1OCCC1Nc1c(F)cc(Br)cc1F
InChIInChI=1S/C11H12BrF2NO/c1-6-10(2-3-16-6)15-11-8(13)4-7(12)5-9(11)14/h4-6,10,15H,2-3H2,1H3
InChIKeyKSCIGIJFQARMOM-UHFFFAOYSA-N
XLogP3.32
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.12
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(4-bromo-2,6-difluorophenyl)-2-methyloxolan-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

2-methyl-N-(2,3,5,6-tetrafluorophenyl)oxolan-3-amine
CID 107643833
N-(2,6-difluoro-4-nitrophenyl)-2-methyloxolan-3-amine
CID 103873049
(2R,3R)-N-(3,4-difluorophenyl)-2-methyloxolan-3-amine
CID 97358475
N-(3-fluoro-5-methylphenyl)-2-methyloxolan-3-amine
CID 75525403
(2R,3S)-N-(3-fluoro-5-methylphenyl)-2-methyloxolan-3-amine
CID 97358660
trans-(1R,2R)-2-(4-bromo-2,6-difluoroanilino)cyclohexan-1-ol
CID 102731340
N-(2-fluoro-5-methylphenyl)-2-methyloxolan-3-amine
CID 75525387
2-methyl-N-(2,3,5-trifluorophenyl)oxolan-3-amine
CID 82727725
4-bromo-2,6-difluoro-N-(2-methoxycyclohexyl)aniline
CID 65468907
(2R,3S)-N-(2-fluoro-4-methylphenyl)-2-methyloxolan-3-amine
CID 97358584
4-bromo-N-(2-methyloxolan-3-yl)pyridin-2-amine
CID 130891045
1-[(4-bromo-2-fluorophenyl)methyl]-3-[(2R,3S)-2-methyloxolan-3-yl]urea
CID 97249638

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2,6-difluorophenyl)-2-methyloxolan-3-amine?
The IUPAC name of N-(4-bromo-2,6-difluorophenyl)-2-methyloxolan-3-amine (CID 82717356) is N-(4-bromo-2,6-difluorophenyl)-2-methyloxolan-3-amine.
What is the SMILES notation for N-(4-bromo-2,6-difluorophenyl)-2-methyloxolan-3-amine?
The canonical SMILES for N-(4-bromo-2,6-difluorophenyl)-2-methyloxolan-3-amine is CC1OCCC1Nc1c(F)cc(Br)cc1F.
What is the InChIKey of N-(4-bromo-2,6-difluorophenyl)-2-methyloxolan-3-amine?
The InChIKey is KSCIGIJFQARMOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrF2NO/c1-6-10(2-3-16-6)15-11-8(13)4-7(12)5-9(11)14/h4-6,10,15H,2-3H2,1H3.
What are the key properties of N-(4-bromo-2,6-difluorophenyl)-2-methyloxolan-3-amine?
N-(4-bromo-2,6-difluorophenyl)-2-methyloxolan-3-amine has a molecular weight of 292.12 g/mol, XLogP of 3.32, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2,6-difluorophenyl)-2-methyloxolan-3-amine is sourced from PubChem (CID 82717356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).