4-bromo-2-fluoro-5-(2-methylpropoxy)aniline

C10H13BrFNO — CID 139036041

IUPAC4-bromo-2-fluoro-5-(2-methylpropoxy)aniline
SMILESCC(C)COc1cc(N)c(F)cc1Br
InChIInChI=1S/C10H13BrFNO/c1-6(2)5-14-10-4-9(13)8(12)3-7(10)11/h3-4,6H,5,13H2,1-2H3
InChIKeyRAAQHZANHJCMKK-UHFFFAOYSA-N
MW262.12 g/mol
LogP3.21
Rot. Bonds3

About 4-bromo-2-fluoro-5-(2-methylpropoxy)aniline

4-bromo-2-fluoro-5-(2-methylpropoxy)aniline (PubChem CID 139036041) has the molecular formula C10H13BrFNO and a molecular weight of 262.12 g/mol. Its IUPAC name is 4-bromo-2-fluoro-5-(2-methylpropoxy)aniline.

Molecular Properties

Compound Name4-bromo-2-fluoro-5-(2-methylpropoxy)aniline
PubChem CID139036041
Molecular FormulaC10H13BrFNO
Molecular Weight262.12 g/mol
Exact Mass261.02
IUPAC Name4-bromo-2-fluoro-5-(2-methylpropoxy)aniline
SMILESCC(C)COc1cc(N)c(F)cc1Br
InChIInChI=1S/C10H13BrFNO/c1-6(2)5-14-10-4-9(13)8(12)3-7(10)11/h3-4,6H,5,13H2,1-2H3
InChIKeyRAAQHZANHJCMKK-UHFFFAOYSA-N
XLogP3.21
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.12
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-2-fluoro-5-propoxyaniline
CID 13281431
5-fluoro-4-methyl-2-(2-methylpropoxy)aniline
CID 45091606
1-bromo-2-fluoro-5-methoxy-4-(2-methylpropoxy)benzene
CID 155923679
5-fluoro-2-(2-methylpropoxy)-4-propoxyaniline
CID 63593547
1-fluoro-4,5-dimethyl-2-(2-methylpropoxy)benzene
CID 154939698
4-bromo-2,5-difluoroaniline
CID 2773285
5-bromo-2-chloro-4-(2-methylpropoxy)pyridine
CID 162680709
CID 174989116
CID 174989116
2-bromo-4-tert-butyl-1-(2-methylpropoxy)benzene
CID 176513448
5-bromo-2-(2,2-difluoroethoxy)-4-fluoroaniline
CID 82004312
5-bromo-1-chloro-2-fluoro-3-(2-methylpropoxy)benzene
CID 171368274
5-bromo-2-fluoro-4-trimethylsilyloxyaniline
CID 167734920

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-fluoro-5-(2-methylpropoxy)aniline?
The IUPAC name of 4-bromo-2-fluoro-5-(2-methylpropoxy)aniline (CID 139036041) is 4-bromo-2-fluoro-5-(2-methylpropoxy)aniline.
What is the SMILES notation for 4-bromo-2-fluoro-5-(2-methylpropoxy)aniline?
The canonical SMILES for 4-bromo-2-fluoro-5-(2-methylpropoxy)aniline is CC(C)COc1cc(N)c(F)cc1Br.
What is the InChIKey of 4-bromo-2-fluoro-5-(2-methylpropoxy)aniline?
The InChIKey is RAAQHZANHJCMKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrFNO/c1-6(2)5-14-10-4-9(13)8(12)3-7(10)11/h3-4,6H,5,13H2,1-2H3.
What are the key properties of 4-bromo-2-fluoro-5-(2-methylpropoxy)aniline?
4-bromo-2-fluoro-5-(2-methylpropoxy)aniline has a molecular weight of 262.12 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-fluoro-5-(2-methylpropoxy)aniline is sourced from PubChem (CID 139036041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).