2-bromo-3-chloro-N-(1-cyclopropylethyl)aniline

C11H13BrClN — CID 103477842

IUPAC2-bromo-3-chloro-N-(1-cyclopropylethyl)aniline
SMILESCC(Nc1cccc(Cl)c1Br)C1CC1
InChIInChI=1S/C11H13BrClN/c1-7(8-5-6-8)14-10-4-2-3-9(13)11(10)12/h2-4,7-8,14H,5-6H2,1H3
InChIKeyJNBDZPCUIKOJSE-UHFFFAOYSA-N
MW274.59 g/mol
LogP4.31
Rot. Bonds3

About 2-bromo-3-chloro-N-(1-cyclopropylethyl)aniline

2-bromo-3-chloro-N-(1-cyclopropylethyl)aniline (PubChem CID 103477842) has the molecular formula C11H13BrClN and a molecular weight of 274.59 g/mol. Its IUPAC name is 2-bromo-3-chloro-N-(1-cyclopropylethyl)aniline.

Molecular Properties

Compound Name2-bromo-3-chloro-N-(1-cyclopropylethyl)aniline
PubChem CID103477842
Molecular FormulaC11H13BrClN
Molecular Weight274.59 g/mol
Exact Mass272.99
IUPAC Name2-bromo-3-chloro-N-(1-cyclopropylethyl)aniline
SMILESCC(Nc1cccc(Cl)c1Br)C1CC1
InChIInChI=1S/C11H13BrClN/c1-7(8-5-6-8)14-10-4-2-3-9(13)11(10)12/h2-4,7-8,14H,5-6H2,1H3
InChIKeyJNBDZPCUIKOJSE-UHFFFAOYSA-N
XLogP4.31
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.59
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-3-chloro-N-(1-cyclopropylethyl)aniline?
The IUPAC name of 2-bromo-3-chloro-N-(1-cyclopropylethyl)aniline (CID 103477842) is 2-bromo-3-chloro-N-(1-cyclopropylethyl)aniline.
What is the SMILES notation for 2-bromo-3-chloro-N-(1-cyclopropylethyl)aniline?
The canonical SMILES for 2-bromo-3-chloro-N-(1-cyclopropylethyl)aniline is CC(Nc1cccc(Cl)c1Br)C1CC1.
What is the InChIKey of 2-bromo-3-chloro-N-(1-cyclopropylethyl)aniline?
The InChIKey is JNBDZPCUIKOJSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrClN/c1-7(8-5-6-8)14-10-4-2-3-9(13)11(10)12/h2-4,7-8,14H,5-6H2,1H3.
What are the key properties of 2-bromo-3-chloro-N-(1-cyclopropylethyl)aniline?
2-bromo-3-chloro-N-(1-cyclopropylethyl)aniline has a molecular weight of 274.59 g/mol, XLogP of 4.31, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3-chloro-N-(1-cyclopropylethyl)aniline is sourced from PubChem (CID 103477842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).