2-(4-bromo-3-fluorophenyl)ethanamine

C8H9BrFN — CID 66915310

IUPAC2-(4-bromo-3-fluorophenyl)ethanamine
SMILESNCCc1ccc(Br)c(F)c1
InChIInChI=1S/C8H9BrFN/c9-7-2-1-6(3-4-11)5-8(7)10/h1-2,5H,3-4,11H2
InChIKeyOVPKYSNPCQCJRG-UHFFFAOYSA-N
MW218.07 g/mol
LogP2.09
Rot. Bonds2

About 2-(4-bromo-3-fluorophenyl)ethanamine

2-(4-bromo-3-fluorophenyl)ethanamine (PubChem CID 66915310) has the molecular formula C8H9BrFN and a molecular weight of 218.07 g/mol. Its IUPAC name is 2-(4-bromo-3-fluorophenyl)ethanamine.

Molecular Properties

Compound Name2-(4-bromo-3-fluorophenyl)ethanamine
PubChem CID66915310
Molecular FormulaC8H9BrFN
Molecular Weight218.07 g/mol
Exact Mass216.99
IUPAC Name2-(4-bromo-3-fluorophenyl)ethanamine
SMILESNCCc1ccc(Br)c(F)c1
InChIInChI=1S/C8H9BrFN/c9-7-2-1-6(3-4-11)5-8(7)10/h1-2,5H,3-4,11H2
InChIKeyOVPKYSNPCQCJRG-UHFFFAOYSA-N
XLogP2.09
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.07
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

O-[2-(4-bromo-3-fluorophenyl)ethyl]hydroxylamine
CID 117339727
2-(3,4-difluorophenyl)ethanamine;hydrochloride
CID 66523804
O-[(4-bromo-3-fluorophenyl)methyl]hydroxylamine
CID 117313669
2-(3-bromo-4-chlorophenyl)ethanamine
CID 68561444
2-[4-(4-bromo-2-fluorophenoxy)-3-fluorophenyl]ethanamine
CID 55238749
2-[4-[(3-bromo-4-fluorophenyl)methoxy]-3-fluorophenyl]ethanamine
CID 107692866
1-bromo-4-(2,2-dimethylpropyl)-2-fluorobenzene
CID 168841969
2-(3-fluoro-4-methylsulfanylphenyl)ethanamine
CID 63818354
2-[3-(aminomethyl)-4-fluorophenyl]ethanamine
CID 55255604
2-[3-bromo-4-[(4-chloro-3-fluorophenyl)methoxy]phenyl]ethanamine
CID 107885526
4-[2-(4-bromo-3-fluorophenoxy)ethyl]aniline
CID 65204078
3-amino-N-[(4-bromo-3-fluorophenyl)methyl]propanamide
CID 119307685

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-3-fluorophenyl)ethanamine?
The IUPAC name of 2-(4-bromo-3-fluorophenyl)ethanamine (CID 66915310) is 2-(4-bromo-3-fluorophenyl)ethanamine.
What is the SMILES notation for 2-(4-bromo-3-fluorophenyl)ethanamine?
The canonical SMILES for 2-(4-bromo-3-fluorophenyl)ethanamine is NCCc1ccc(Br)c(F)c1.
What is the InChIKey of 2-(4-bromo-3-fluorophenyl)ethanamine?
The InChIKey is OVPKYSNPCQCJRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrFN/c9-7-2-1-6(3-4-11)5-8(7)10/h1-2,5H,3-4,11H2.
What are the key properties of 2-(4-bromo-3-fluorophenyl)ethanamine?
2-(4-bromo-3-fluorophenyl)ethanamine has a molecular weight of 218.07 g/mol, XLogP of 2.09, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-3-fluorophenyl)ethanamine is sourced from PubChem (CID 66915310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).