N-(5-bromo-2,4-difluorophenyl)oxan-3-amine

C11H12BrF2NO — CID 102852792

IUPACN-(5-bromo-2,4-difluorophenyl)oxan-3-amine
SMILESFc1cc(F)c(NC2CCCOC2)cc1Br
InChIInChI=1S/C11H12BrF2NO/c12-8-4-11(10(14)5-9(8)13)15-7-2-1-3-16-6-7/h4-5,7,15H,1-3,6H2
InChIKeyWVTFUTINRQPXOM-UHFFFAOYSA-N
MW292.12 g/mol
LogP3.32
Rot. Bonds2

About N-(5-bromo-2,4-difluorophenyl)oxan-3-amine

N-(5-bromo-2,4-difluorophenyl)oxan-3-amine (PubChem CID 102852792) has the molecular formula C11H12BrF2NO and a molecular weight of 292.12 g/mol. Its IUPAC name is N-(5-bromo-2,4-difluorophenyl)oxan-3-amine.

Molecular Properties

Compound NameN-(5-bromo-2,4-difluorophenyl)oxan-3-amine
PubChem CID102852792
Molecular FormulaC11H12BrF2NO
Molecular Weight292.12 g/mol
Exact Mass291.01
IUPAC NameN-(5-bromo-2,4-difluorophenyl)oxan-3-amine
SMILESFc1cc(F)c(NC2CCCOC2)cc1Br
InChIInChI=1S/C11H12BrF2NO/c12-8-4-11(10(14)5-9(8)13)15-7-2-1-3-16-6-7/h4-5,7,15H,1-3,6H2
InChIKeyWVTFUTINRQPXOM-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

N-(4-bromo-2,5-difluorophenyl)oxan-3-amine
CID 107609816
N-(5-bromo-4-fluoro-2-methylphenyl)oxepan-4-amine
CID 103271856
N-(2-bromo-5-fluorophenyl)oxolan-3-amine
CID 107633205
N-(2-bromo-4-fluorophenyl)oxolan-3-amine
CID 63331950
N-(4-bromonaphthalen-1-yl)oxan-3-amine
CID 113384461
2-fluoro-6-(oxan-3-ylamino)benzonitrile
CID 63611402
2-fluoro-1-N-(oxolan-3-yl)benzene-1,4-diamine
CID 80716587
3-bromo-4-(oxan-3-ylamino)benzoic acid
CID 82801534
6-bromo-7-fluoro-4-(oxan-3-ylamino)quinoline-3-carboxylic acid
CID 129121205
1-N-(5-bromo-2,4-difluorophenyl)cyclobutane-1,3-diamine
CID 102853239
6-bromo-7-fluoro-4-[[(3S)-oxan-3-yl]amino]quinoline-3-carboxamide
CID 118502893
2-bromo-3-fluoro-4-(oxan-3-ylamino)benzonitrile
CID 107533681

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2,4-difluorophenyl)oxan-3-amine?
The IUPAC name of N-(5-bromo-2,4-difluorophenyl)oxan-3-amine (CID 102852792) is N-(5-bromo-2,4-difluorophenyl)oxan-3-amine.
What is the SMILES notation for N-(5-bromo-2,4-difluorophenyl)oxan-3-amine?
The canonical SMILES for N-(5-bromo-2,4-difluorophenyl)oxan-3-amine is Fc1cc(F)c(NC2CCCOC2)cc1Br.
What is the InChIKey of N-(5-bromo-2,4-difluorophenyl)oxan-3-amine?
The InChIKey is WVTFUTINRQPXOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrF2NO/c12-8-4-11(10(14)5-9(8)13)15-7-2-1-3-16-6-7/h4-5,7,15H,1-3,6H2.
What are the key properties of N-(5-bromo-2,4-difluorophenyl)oxan-3-amine?
N-(5-bromo-2,4-difluorophenyl)oxan-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-(5-bromo-2,4-difluorophenyl)oxan-3-amine is sourced from PubChem (CID 102852792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).