2-bromo-N-cyclopropyl-5-methoxyaniline

C10H12BrNO — CID 103439281

IUPAC2-bromo-N-cyclopropyl-5-methoxyaniline
SMILESCOc1ccc(Br)c(NC2CC2)c1
InChIInChI=1S/C10H12BrNO/c1-13-8-4-5-9(11)10(6-8)12-7-2-3-7/h4-7,12H,2-3H2,1H3
InChIKeyDCFLUUALUOJDSU-UHFFFAOYSA-N
MW242.12 g/mol
LogP3.03
Rot. Bonds3

About 2-bromo-N-cyclopropyl-5-methoxyaniline

2-bromo-N-cyclopropyl-5-methoxyaniline (PubChem CID 103439281) has the molecular formula C10H12BrNO and a molecular weight of 242.12 g/mol. Its IUPAC name is 2-bromo-N-cyclopropyl-5-methoxyaniline.

Molecular Properties

Compound Name2-bromo-N-cyclopropyl-5-methoxyaniline
PubChem CID103439281
Molecular FormulaC10H12BrNO
Molecular Weight242.12 g/mol
Exact Mass241.01
IUPAC Name2-bromo-N-cyclopropyl-5-methoxyaniline
SMILESCOc1ccc(Br)c(NC2CC2)c1
InChIInChI=1S/C10H12BrNO/c1-13-8-4-5-9(11)10(6-8)12-7-2-3-7/h4-7,12H,2-3H2,1H3
InChIKeyDCFLUUALUOJDSU-UHFFFAOYSA-N
XLogP3.03
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.12
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-cyclopropyl-5-methoxyaniline?
The IUPAC name of 2-bromo-N-cyclopropyl-5-methoxyaniline (CID 103439281) is 2-bromo-N-cyclopropyl-5-methoxyaniline.
What is the SMILES notation for 2-bromo-N-cyclopropyl-5-methoxyaniline?
The canonical SMILES for 2-bromo-N-cyclopropyl-5-methoxyaniline is COc1ccc(Br)c(NC2CC2)c1.
What is the InChIKey of 2-bromo-N-cyclopropyl-5-methoxyaniline?
The InChIKey is DCFLUUALUOJDSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNO/c1-13-8-4-5-9(11)10(6-8)12-7-2-3-7/h4-7,12H,2-3H2,1H3.
What are the key properties of 2-bromo-N-cyclopropyl-5-methoxyaniline?
2-bromo-N-cyclopropyl-5-methoxyaniline has a molecular weight of 242.12 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-cyclopropyl-5-methoxyaniline is sourced from PubChem (CID 103439281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).