2-bromo-6-tert-butyl-3-fluoro-4-methoxyaniline

C11H15BrFNO — CID 150216828

IUPAC2-bromo-6-tert-butyl-3-fluoro-4-methoxyaniline
SMILESCOc1cc(C(C)(C)C)c(N)c(Br)c1F
InChIInChI=1S/C11H15BrFNO/c1-11(2,3)6-5-7(15-4)9(13)8(12)10(6)14/h5H,14H2,1-4H3
InChIKeyFSQQUJRRWBAHIG-UHFFFAOYSA-N
MW276.15 g/mol
LogP3.48
Rot. Bonds1

About 2-bromo-6-tert-butyl-3-fluoro-4-methoxyaniline

2-bromo-6-tert-butyl-3-fluoro-4-methoxyaniline (PubChem CID 150216828) has the molecular formula C11H15BrFNO and a molecular weight of 276.15 g/mol. Its IUPAC name is 2-bromo-6-tert-butyl-3-fluoro-4-methoxyaniline.

Molecular Properties

Compound Name2-bromo-6-tert-butyl-3-fluoro-4-methoxyaniline
PubChem CID150216828
Molecular FormulaC11H15BrFNO
Molecular Weight276.15 g/mol
Exact Mass275.03
IUPAC Name2-bromo-6-tert-butyl-3-fluoro-4-methoxyaniline
SMILESCOc1cc(C(C)(C)C)c(N)c(Br)c1F
InChIInChI=1S/C11H15BrFNO/c1-11(2,3)6-5-7(15-4)9(13)8(12)10(6)14/h5H,14H2,1-4H3
InChIKeyFSQQUJRRWBAHIG-UHFFFAOYSA-N
XLogP3.48
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.15
LogP ≤ 53.48
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

2-bromo-3,6-difluoro-4-methoxyaniline
CID 106701642
2-tert-butyl-6-methoxy-4-methylaniline
CID 175292269
1-tert-butyl-4-iodo-2,5-dimethoxybenzene
CID 18788666
2,6-ditert-butyl-4-fluoroaniline
CID 14460942
4-tert-butyl-5-methoxy-2-methylaniline
CID 59687322
1-tert-butyl-5-fluoro-2,4-dimethoxybenzene
CID 148903890
2-(3-bromo-2-fluoro-4,5-dimethoxyphenyl)-2-methylpropan-1-ol
CID 117492174
2-amino-4-bromo-3-fluoro-5-methoxybenzaldehyde
CID 164904191
1,2-ditert-butyl-4-methoxy-5-methylbenzene
CID 90688741
2-(2-bromo-4,5-dimethoxyphenyl)propan-2-amine
CID 117437704
2-(5-bromo-2-fluoro-3-methoxyphenyl)-2-methylpropan-1-ol
CID 117443682
2-chloro-3,6-difluoro-4-methoxyaniline
CID 106701641

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-tert-butyl-3-fluoro-4-methoxyaniline?
The IUPAC name of 2-bromo-6-tert-butyl-3-fluoro-4-methoxyaniline (CID 150216828) is 2-bromo-6-tert-butyl-3-fluoro-4-methoxyaniline.
What is the SMILES notation for 2-bromo-6-tert-butyl-3-fluoro-4-methoxyaniline?
The canonical SMILES for 2-bromo-6-tert-butyl-3-fluoro-4-methoxyaniline is COc1cc(C(C)(C)C)c(N)c(Br)c1F.
What is the InChIKey of 2-bromo-6-tert-butyl-3-fluoro-4-methoxyaniline?
The InChIKey is FSQQUJRRWBAHIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrFNO/c1-11(2,3)6-5-7(15-4)9(13)8(12)10(6)14/h5H,14H2,1-4H3.
What are the key properties of 2-bromo-6-tert-butyl-3-fluoro-4-methoxyaniline?
2-bromo-6-tert-butyl-3-fluoro-4-methoxyaniline has a molecular weight of 276.15 g/mol, XLogP of 3.48, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-tert-butyl-3-fluoro-4-methoxyaniline is sourced from PubChem (CID 150216828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).