2-(3-bromo-4-chloro-5-fluorophenyl)propan-2-amine

C9H10BrClFN — CID 117420420

IUPAC2-(3-bromo-4-chloro-5-fluorophenyl)propan-2-amine
SMILESCC(C)(N)c1cc(F)c(Cl)c(Br)c1
InChIInChI=1S/C9H10BrClFN/c1-9(2,13)5-3-6(10)8(11)7(12)4-5/h3-4H,13H2,1-2H3
InChIKeyZMILSULTKKWHFB-UHFFFAOYSA-N
MW266.54 g/mol
LogP3.44
Rot. Bonds1

About 2-(3-bromo-4-chloro-5-fluorophenyl)propan-2-amine

2-(3-bromo-4-chloro-5-fluorophenyl)propan-2-amine (PubChem CID 117420420) has the molecular formula C9H10BrClFN and a molecular weight of 266.54 g/mol. Its IUPAC name is 2-(3-bromo-4-chloro-5-fluorophenyl)propan-2-amine.

Molecular Properties

Compound Name2-(3-bromo-4-chloro-5-fluorophenyl)propan-2-amine
PubChem CID117420420
Molecular FormulaC9H10BrClFN
Molecular Weight266.54 g/mol
Exact Mass264.97
IUPAC Name2-(3-bromo-4-chloro-5-fluorophenyl)propan-2-amine
SMILESCC(C)(N)c1cc(F)c(Cl)c(Br)c1
InChIInChI=1S/C9H10BrClFN/c1-9(2,13)5-3-6(10)8(11)7(12)4-5/h3-4H,13H2,1-2H3
InChIKeyZMILSULTKKWHFB-UHFFFAOYSA-N
XLogP3.44
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.54
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

2-(3-chloro-5-fluoro-4-methylphenyl)propan-2-amine
CID 117290502
2-(4-bromo-3-fluorophenyl)propan-2-amine;hydrochloride
CID 155821579
2-(3,4,5-trifluorophenyl)propan-2-amine;hydrochloride
CID 154857245
3-bromo-4-chloro-5-fluoroaniline
CID 131585188
2-(3,5-difluoro-4-methoxyphenyl)propan-2-amine
CID 84776186
1-bromo-5-tert-butyl-2,3-difluorobenzene
CID 139993631
O-[(3-bromo-4-chloro-5-fluorophenyl)methyl]hydroxylamine
CID 117389552
2-(3-chloro-4-fluoro-5-methylphenyl)propan-2-amine
CID 117290497
2-[3-bromo-5-(trifluoromethyl)phenyl]propan-2-amine
CID 117111932
2-(2-aminopropan-2-yl)-5-bromo-4-fluorophenol
CID 84803507
2-(3-fluoro-4-methoxy-5-methylphenyl)propan-2-amine
CID 117287323
1-(3-bromo-4-chloro-5-fluorophenyl)ethanol
CID 117386869

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-4-chloro-5-fluorophenyl)propan-2-amine?
The IUPAC name of 2-(3-bromo-4-chloro-5-fluorophenyl)propan-2-amine (CID 117420420) is 2-(3-bromo-4-chloro-5-fluorophenyl)propan-2-amine.
What is the SMILES notation for 2-(3-bromo-4-chloro-5-fluorophenyl)propan-2-amine?
The canonical SMILES for 2-(3-bromo-4-chloro-5-fluorophenyl)propan-2-amine is CC(C)(N)c1cc(F)c(Cl)c(Br)c1.
What is the InChIKey of 2-(3-bromo-4-chloro-5-fluorophenyl)propan-2-amine?
The InChIKey is ZMILSULTKKWHFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrClFN/c1-9(2,13)5-3-6(10)8(11)7(12)4-5/h3-4H,13H2,1-2H3.
What are the key properties of 2-(3-bromo-4-chloro-5-fluorophenyl)propan-2-amine?
2-(3-bromo-4-chloro-5-fluorophenyl)propan-2-amine has a molecular weight of 266.54 g/mol, XLogP of 3.44, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-4-chloro-5-fluorophenyl)propan-2-amine is sourced from PubChem (CID 117420420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).