4-bromo-2,6-dichloro-N-cyclopropylaniline

C9H8BrCl2N — CID 103438876

IUPAC4-bromo-2,6-dichloro-N-cyclopropylaniline
SMILESClc1cc(Br)cc(Cl)c1NC1CC1
InChIInChI=1S/C9H8BrCl2N/c10-5-3-7(11)9(8(12)4-5)13-6-1-2-6/h3-4,6,13H,1-2H2
InChIKeyRTYIOQPJFGUIFF-UHFFFAOYSA-N
MW280.98 g/mol
LogP4.33
Rot. Bonds2

About 4-bromo-2,6-dichloro-N-cyclopropylaniline

4-bromo-2,6-dichloro-N-cyclopropylaniline (PubChem CID 103438876) has the molecular formula C9H8BrCl2N and a molecular weight of 280.98 g/mol. Its IUPAC name is 4-bromo-2,6-dichloro-N-cyclopropylaniline.

Molecular Properties

Compound Name4-bromo-2,6-dichloro-N-cyclopropylaniline
PubChem CID103438876
Molecular FormulaC9H8BrCl2N
Molecular Weight280.98 g/mol
Exact Mass278.92
IUPAC Name4-bromo-2,6-dichloro-N-cyclopropylaniline
SMILESClc1cc(Br)cc(Cl)c1NC1CC1
InChIInChI=1S/C9H8BrCl2N/c10-5-3-7(11)9(8(12)4-5)13-6-1-2-6/h3-4,6,13H,1-2H2
InChIKeyRTYIOQPJFGUIFF-UHFFFAOYSA-N
XLogP4.33
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.98
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(4-bromo-2,6-dichlorophenyl)thian-4-amine
CID 43511379
4-bromo-2,6-dichloro-N-(4-propylcyclohexyl)aniline
CID 63425626
N-(4-bromo-2,6-dichlorophenyl)-1-ethylpiperidin-4-amine
CID 28993181
1-[4-(4-bromo-2,6-dichloroanilino)piperidin-1-yl]ethanone
CID 43773718
N-(4-bromo-2,6-dichlorophenyl)-1-methylpyrrolidin-3-amine
CID 62976883
4-bromo-2,6-dichloro-N-(3,3-dimethylcyclopentyl)aniline
CID 80692270
2,4,6-trichloro-N-cyclobutylaniline
CID 63425611
2-bromo-6-chloro-1-N-cyclohexylbenzene-1,4-diamine
CID 50879510
4-(4-bromo-2,6-dimethylanilino)cyclohexan-1-ol
CID 106594315
4-bromo-2,6-dichloro-N-methylaniline
CID 23345299
4-bromo-2-chloro-N-(4-propan-2-ylcyclohexyl)aniline
CID 63423041
1-oxo-N-(2,4,6-trichlorophenyl)thian-4-amine
CID 54981949

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2,6-dichloro-N-cyclopropylaniline?
The IUPAC name of 4-bromo-2,6-dichloro-N-cyclopropylaniline (CID 103438876) is 4-bromo-2,6-dichloro-N-cyclopropylaniline.
What is the SMILES notation for 4-bromo-2,6-dichloro-N-cyclopropylaniline?
The canonical SMILES for 4-bromo-2,6-dichloro-N-cyclopropylaniline is Clc1cc(Br)cc(Cl)c1NC1CC1.
What is the InChIKey of 4-bromo-2,6-dichloro-N-cyclopropylaniline?
The InChIKey is RTYIOQPJFGUIFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrCl2N/c10-5-3-7(11)9(8(12)4-5)13-6-1-2-6/h3-4,6,13H,1-2H2.
What are the key properties of 4-bromo-2,6-dichloro-N-cyclopropylaniline?
4-bromo-2,6-dichloro-N-cyclopropylaniline has a molecular weight of 280.98 g/mol, XLogP of 4.33, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2,6-dichloro-N-cyclopropylaniline is sourced from PubChem (CID 103438876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).