1-(6-bromo-2-chloro-3-fluorophenyl)ethanamine

C8H8BrClFN — CID 130002531

IUPAC1-(6-bromo-2-chloro-3-fluorophenyl)ethanamine
SMILESCC(N)c1c(Br)ccc(F)c1Cl
InChIInChI=1S/C8H8BrClFN/c1-4(12)7-5(9)2-3-6(11)8(7)10/h2-4H,12H2,1H3
InChIKeyTUZGXTKZOLRSSE-UHFFFAOYSA-N
MW252.51 g/mol
LogP3.26
Rot. Bonds1

About 1-(6-bromo-2-chloro-3-fluorophenyl)ethanamine

1-(6-bromo-2-chloro-3-fluorophenyl)ethanamine (PubChem CID 130002531) has the molecular formula C8H8BrClFN and a molecular weight of 252.51 g/mol. Its IUPAC name is 1-(6-bromo-2-chloro-3-fluorophenyl)ethanamine.

Molecular Properties

Compound Name1-(6-bromo-2-chloro-3-fluorophenyl)ethanamine
PubChem CID130002531
Molecular FormulaC8H8BrClFN
Molecular Weight252.51 g/mol
Exact Mass250.95
IUPAC Name1-(6-bromo-2-chloro-3-fluorophenyl)ethanamine
SMILESCC(N)c1c(Br)ccc(F)c1Cl
InChIInChI=1S/C8H8BrClFN/c1-4(12)7-5(9)2-3-6(11)8(7)10/h2-4H,12H2,1H3
InChIKeyTUZGXTKZOLRSSE-UHFFFAOYSA-N
XLogP3.26
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.51
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

2-[(1R)-1-aminoethyl]-3-bromo-6-fluorophenol
CID 130885199
(1R)-1-(2-bromo-6-chlorophenyl)ethanamine
CID 130968340
(1R)-1-(2,3-dichloro-6-fluorophenyl)ethanamine;hydrochloride
CID 171215578
1-(6-chloro-2,3-difluorophenyl)ethanamine
CID 130512093
2-(1-bromoethyl)-1,3-dichloro-4-fluorobenzene
CID 54578784
(1R)-1-(3-chloro-2,6-difluorophenyl)ethanamine
CID 130707834
(1S,2R)-1-amino-1-(2,6-dichloro-3-fluorophenyl)propan-2-ol
CID 130618254
(1S)-1-(2-chloro-3,6-difluorophenyl)-2-fluoroethanamine
CID 124707711
2-(1-aminoethyl)-4-bromo-3-fluorophenol
CID 84697321
1-(4-bromo-2,6-difluorophenyl)ethanamine
CID 67403497
1-bromo-2-chloro-4-fluoro-3-methylbenzene
CID 2736227
1-(2-chloro-6-fluorophenyl)ethanamine
CID 53394777

Frequently Asked Questions

What is the IUPAC name of 1-(6-bromo-2-chloro-3-fluorophenyl)ethanamine?
The IUPAC name of 1-(6-bromo-2-chloro-3-fluorophenyl)ethanamine (CID 130002531) is 1-(6-bromo-2-chloro-3-fluorophenyl)ethanamine.
What is the SMILES notation for 1-(6-bromo-2-chloro-3-fluorophenyl)ethanamine?
The canonical SMILES for 1-(6-bromo-2-chloro-3-fluorophenyl)ethanamine is CC(N)c1c(Br)ccc(F)c1Cl.
What is the InChIKey of 1-(6-bromo-2-chloro-3-fluorophenyl)ethanamine?
The InChIKey is TUZGXTKZOLRSSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrClFN/c1-4(12)7-5(9)2-3-6(11)8(7)10/h2-4H,12H2,1H3.
What are the key properties of 1-(6-bromo-2-chloro-3-fluorophenyl)ethanamine?
1-(6-bromo-2-chloro-3-fluorophenyl)ethanamine has a molecular weight of 252.51 g/mol, XLogP of 3.26, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-bromo-2-chloro-3-fluorophenyl)ethanamine is sourced from PubChem (CID 130002531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).