N-[1-(aminomethyl)cyclopentyl]-3-bromo-4-fluoroaniline

C12H16BrFN2 — CID 104776301

IUPACN-[1-(aminomethyl)cyclopentyl]-3-bromo-4-fluoroaniline
SMILESNCC1(Nc2ccc(F)c(Br)c2)CCCC1
InChIInChI=1S/C12H16BrFN2/c13-10-7-9(3-4-11(10)14)16-12(8-15)5-1-2-6-12/h3-4,7,16H,1-2,5-6,8,15H2
InChIKeyWEDIFOFRGMTBMN-UHFFFAOYSA-N
MW287.18 g/mol
LogP3.27
Rot. Bonds3

About N-[1-(aminomethyl)cyclopentyl]-3-bromo-4-fluoroaniline

N-[1-(aminomethyl)cyclopentyl]-3-bromo-4-fluoroaniline (PubChem CID 104776301) has the molecular formula C12H16BrFN2 and a molecular weight of 287.18 g/mol. Its IUPAC name is N-[1-(aminomethyl)cyclopentyl]-3-bromo-4-fluoroaniline.

Molecular Properties

Compound NameN-[1-(aminomethyl)cyclopentyl]-3-bromo-4-fluoroaniline
PubChem CID104776301
Molecular FormulaC12H16BrFN2
Molecular Weight287.18 g/mol
Exact Mass286.05
IUPAC NameN-[1-(aminomethyl)cyclopentyl]-3-bromo-4-fluoroaniline
SMILESNCC1(Nc2ccc(F)c(Br)c2)CCCC1
InChIInChI=1S/C12H16BrFN2/c13-10-7-9(3-4-11(10)14)16-12(8-15)5-1-2-6-12/h3-4,7,16H,1-2,5-6,8,15H2
InChIKeyWEDIFOFRGMTBMN-UHFFFAOYSA-N
XLogP3.27
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.18
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)cyclopentyl]-3-bromo-4-fluoroaniline?
The IUPAC name of N-[1-(aminomethyl)cyclopentyl]-3-bromo-4-fluoroaniline (CID 104776301) is N-[1-(aminomethyl)cyclopentyl]-3-bromo-4-fluoroaniline.
What is the SMILES notation for N-[1-(aminomethyl)cyclopentyl]-3-bromo-4-fluoroaniline?
The canonical SMILES for N-[1-(aminomethyl)cyclopentyl]-3-bromo-4-fluoroaniline is NCC1(Nc2ccc(F)c(Br)c2)CCCC1.
What is the InChIKey of N-[1-(aminomethyl)cyclopentyl]-3-bromo-4-fluoroaniline?
The InChIKey is WEDIFOFRGMTBMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrFN2/c13-10-7-9(3-4-11(10)14)16-12(8-15)5-1-2-6-12/h3-4,7,16H,1-2,5-6,8,15H2.
What are the key properties of N-[1-(aminomethyl)cyclopentyl]-3-bromo-4-fluoroaniline?
N-[1-(aminomethyl)cyclopentyl]-3-bromo-4-fluoroaniline has a molecular weight of 287.18 g/mol, XLogP of 3.27, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)cyclopentyl]-3-bromo-4-fluoroaniline is sourced from PubChem (CID 104776301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).