2-bromo-6-(cyclopenten-1-yl)-N-methylaniline

C12H14BrN — CID 142143224

IUPAC2-bromo-6-(cyclopenten-1-yl)-N-methylaniline
SMILESCNc1c(Br)cccc1C1=CCCC1
InChIInChI=1S/C12H14BrN/c1-14-12-10(7-4-8-11(12)13)9-5-2-3-6-9/h4-5,7-8,14H,2-3,6H2,1H3
InChIKeyOAEBLXHOJHPGTK-UHFFFAOYSA-N
MW252.16 g/mol
LogP4.06
Rot. Bonds2

About 2-bromo-6-(cyclopenten-1-yl)-N-methylaniline

2-bromo-6-(cyclopenten-1-yl)-N-methylaniline (PubChem CID 142143224) has the molecular formula C12H14BrN and a molecular weight of 252.16 g/mol. Its IUPAC name is 2-bromo-6-(cyclopenten-1-yl)-N-methylaniline.

Molecular Properties

Compound Name2-bromo-6-(cyclopenten-1-yl)-N-methylaniline
PubChem CID142143224
Molecular FormulaC12H14BrN
Molecular Weight252.16 g/mol
Exact Mass251.03
IUPAC Name2-bromo-6-(cyclopenten-1-yl)-N-methylaniline
SMILESCNc1c(Br)cccc1C1=CCCC1
InChIInChI=1S/C12H14BrN/c1-14-12-10(7-4-8-11(12)13)9-5-2-3-6-9/h4-5,7-8,14H,2-3,6H2,1H3
InChIKeyOAEBLXHOJHPGTK-UHFFFAOYSA-N
XLogP4.06
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.16
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-(cyclopenten-1-yl)-N-methylaniline?
The IUPAC name of 2-bromo-6-(cyclopenten-1-yl)-N-methylaniline (CID 142143224) is 2-bromo-6-(cyclopenten-1-yl)-N-methylaniline.
What is the SMILES notation for 2-bromo-6-(cyclopenten-1-yl)-N-methylaniline?
The canonical SMILES for 2-bromo-6-(cyclopenten-1-yl)-N-methylaniline is CNc1c(Br)cccc1C1=CCCC1.
What is the InChIKey of 2-bromo-6-(cyclopenten-1-yl)-N-methylaniline?
The InChIKey is OAEBLXHOJHPGTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrN/c1-14-12-10(7-4-8-11(12)13)9-5-2-3-6-9/h4-5,7-8,14H,2-3,6H2,1H3.
What are the key properties of 2-bromo-6-(cyclopenten-1-yl)-N-methylaniline?
2-bromo-6-(cyclopenten-1-yl)-N-methylaniline has a molecular weight of 252.16 g/mol, XLogP of 4.06, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-(cyclopenten-1-yl)-N-methylaniline is sourced from PubChem (CID 142143224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).