2-bromo-6-chloro-4-propan-2-ylaniline

C9H11BrClN — CID 164890757

IUPAC2-bromo-6-chloro-4-propan-2-ylaniline
SMILESCC(C)c1cc(Cl)c(N)c(Br)c1
InChIInChI=1S/C9H11BrClN/c1-5(2)6-3-7(10)9(12)8(11)4-6/h3-5H,12H2,1-2H3
InChIKeyZLZYYUKEFVMHJR-UHFFFAOYSA-N
MW248.55 g/mol
LogP3.81
Rot. Bonds1

About 2-bromo-6-chloro-4-propan-2-ylaniline

2-bromo-6-chloro-4-propan-2-ylaniline (PubChem CID 164890757) has the molecular formula C9H11BrClN and a molecular weight of 248.55 g/mol. Its IUPAC name is 2-bromo-6-chloro-4-propan-2-ylaniline.

Molecular Properties

Compound Name2-bromo-6-chloro-4-propan-2-ylaniline
PubChem CID164890757
Molecular FormulaC9H11BrClN
Molecular Weight248.55 g/mol
Exact Mass246.98
IUPAC Name2-bromo-6-chloro-4-propan-2-ylaniline
SMILESCC(C)c1cc(Cl)c(N)c(Br)c1
InChIInChI=1S/C9H11BrClN/c1-5(2)6-3-7(10)9(12)8(11)4-6/h3-5H,12H2,1-2H3
InChIKeyZLZYYUKEFVMHJR-UHFFFAOYSA-N
XLogP3.81
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.55
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(1R)-2-amino-1-(4-amino-3-bromo-5-chlorophenyl)ethanol
CID 54051332
(1S)-1-amino-1-(4-amino-3-bromo-5-chlorophenyl)propan-2-ol
CID 130707255
2,4-dibromo-6-chloroaniline
CID 4295982
1-bromo-2-chloro-4-propan-2-ylbenzene
CID 20739733
1,2,3-trichloro-5-propan-2-ylbenzene
CID 20811691
2-amino-6-chloro-4-propan-2-ylphenol
CID 21209246
2,4-dichloro-6-propan-2-ylaniline
CID 20689392
1-bromo-4-[bromo-(4-propan-2-ylphenyl)methyl]-2-chlorobenzene
CID 81307063
3-bromo-2-chloro-5-propan-2-ylbenzaldehyde
CID 163198279
2-bromo-4-chloro-6-methylaniline
CID 20543754
1-(3-bromo-4-chlorophenyl)-N-methyl-1-(4-propan-2-ylphenyl)methanamine
CID 115567213
8-bromo-4-chloro-3-methyl-6-propan-2-ylquinoline
CID 171373295

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-chloro-4-propan-2-ylaniline?
The IUPAC name of 2-bromo-6-chloro-4-propan-2-ylaniline (CID 164890757) is 2-bromo-6-chloro-4-propan-2-ylaniline.
What is the SMILES notation for 2-bromo-6-chloro-4-propan-2-ylaniline?
The canonical SMILES for 2-bromo-6-chloro-4-propan-2-ylaniline is CC(C)c1cc(Cl)c(N)c(Br)c1.
What is the InChIKey of 2-bromo-6-chloro-4-propan-2-ylaniline?
The InChIKey is ZLZYYUKEFVMHJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrClN/c1-5(2)6-3-7(10)9(12)8(11)4-6/h3-5H,12H2,1-2H3.
What are the key properties of 2-bromo-6-chloro-4-propan-2-ylaniline?
2-bromo-6-chloro-4-propan-2-ylaniline has a molecular weight of 248.55 g/mol, XLogP of 3.81, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-chloro-4-propan-2-ylaniline is sourced from PubChem (CID 164890757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).