4-bromo-N-(cyclopentylmethyl)-2-fluoroaniline

C12H15BrFN — CID 63419246

IUPAC4-bromo-N-(cyclopentylmethyl)-2-fluoroaniline
SMILESFc1cc(Br)ccc1NCC1CCCC1
InChIInChI=1S/C12H15BrFN/c13-10-5-6-12(11(14)7-10)15-8-9-3-1-2-4-9/h5-7,9,15H,1-4,8H2
InChIKeyBSPTYXMQFKTOAE-UHFFFAOYSA-N
MW272.16 g/mol
LogP4.19
Rot. Bonds3

About 4-bromo-N-(cyclopentylmethyl)-2-fluoroaniline

4-bromo-N-(cyclopentylmethyl)-2-fluoroaniline (PubChem CID 63419246) has the molecular formula C12H15BrFN and a molecular weight of 272.16 g/mol. Its IUPAC name is 4-bromo-N-(cyclopentylmethyl)-2-fluoroaniline.

Molecular Properties

Compound Name4-bromo-N-(cyclopentylmethyl)-2-fluoroaniline
PubChem CID63419246
Molecular FormulaC12H15BrFN
Molecular Weight272.16 g/mol
Exact Mass271.04
IUPAC Name4-bromo-N-(cyclopentylmethyl)-2-fluoroaniline
SMILESFc1cc(Br)ccc1NCC1CCCC1
InChIInChI=1S/C12H15BrFN/c13-10-5-6-12(11(14)7-10)15-8-9-3-1-2-4-9/h5-7,9,15H,1-4,8H2
InChIKeyBSPTYXMQFKTOAE-UHFFFAOYSA-N
XLogP4.19
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.16
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(cyclopentylmethyl)-2-fluoroaniline?
The IUPAC name of 4-bromo-N-(cyclopentylmethyl)-2-fluoroaniline (CID 63419246) is 4-bromo-N-(cyclopentylmethyl)-2-fluoroaniline.
What is the SMILES notation for 4-bromo-N-(cyclopentylmethyl)-2-fluoroaniline?
The canonical SMILES for 4-bromo-N-(cyclopentylmethyl)-2-fluoroaniline is Fc1cc(Br)ccc1NCC1CCCC1.
What is the InChIKey of 4-bromo-N-(cyclopentylmethyl)-2-fluoroaniline?
The InChIKey is BSPTYXMQFKTOAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrFN/c13-10-5-6-12(11(14)7-10)15-8-9-3-1-2-4-9/h5-7,9,15H,1-4,8H2.
What are the key properties of 4-bromo-N-(cyclopentylmethyl)-2-fluoroaniline?
4-bromo-N-(cyclopentylmethyl)-2-fluoroaniline has a molecular weight of 272.16 g/mol, XLogP of 4.19, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(cyclopentylmethyl)-2-fluoroaniline is sourced from PubChem (CID 63419246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).