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

C9H10BrClFN — CID 117420421

IUPAC2-(2-bromo-4-chloro-3-fluorophenyl)propan-2-amine
SMILESCC(C)(N)c1ccc(Cl)c(F)c1Br
InChIInChI=1S/C9H10BrClFN/c1-9(2,13)5-3-4-6(11)8(12)7(5)10/h3-4H,13H2,1-2H3
InChIKeyMMVYNYJCCYMAPC-UHFFFAOYSA-N
MW266.54 g/mol
LogP3.44
Rot. Bonds1

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

2-(2-bromo-4-chloro-3-fluorophenyl)propan-2-amine (PubChem CID 117420421) has the molecular formula C9H10BrClFN and a molecular weight of 266.54 g/mol. Its IUPAC name is 2-(2-bromo-4-chloro-3-fluorophenyl)propan-2-amine.

Molecular Properties

Compound Name2-(2-bromo-4-chloro-3-fluorophenyl)propan-2-amine
PubChem CID117420421
Molecular FormulaC9H10BrClFN
Molecular Weight266.54 g/mol
Exact Mass264.97
IUPAC Name2-(2-bromo-4-chloro-3-fluorophenyl)propan-2-amine
SMILESCC(C)(N)c1ccc(Cl)c(F)c1Br
InChIInChI=1S/C9H10BrClFN/c1-9(2,13)5-3-4-6(11)8(12)7(5)10/h3-4H,13H2,1-2H3
InChIKeyMMVYNYJCCYMAPC-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-(2-Bromo-6-fluorophenyl)propan-2-amine
CID 83403201
2-(2-Bromo-4-fluorophenyl)propan-2-amine
CID 83712564
(1R)-1-(2-bromo-4-chlorophenyl)ethan-1-amine hydrochloride
CID 139022361
(1S)-1-(2-bromo-4-chlorophenyl)ethan-1-amine hydrochloride
CID 139022363
2-(2-Bromo-3-fluorophenyl)propan-2-amine
CID 18697504
2-(4-Chloro-2-fluorophenyl)propan-2-amine
CID 56973673
2-(2-Bromo-4-chlorophenyl)-2-fluoroethan-1-amine
CID 57445061
2-(2-Bromo-4-chlorophenyl)ethanamine
CID 58244638
2-(4-Chloro-3-fluorophenyl)propan-2-amine
CID 70277469
(2-Bromo-4-chloro-3-fluorophenyl)methanamine
CID 117349681
1-[(2-Bromo-4-chloro-3-fluorophenyl)methyl]cyclopropan-1-amine
CID 117446804
4-(2-Bromo-4-chlorophenyl)-1,1-difluorobutan-1-amine
CID 126667253

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-chloro-3-fluorophenyl)propan-2-amine?
The IUPAC name of 2-(2-bromo-4-chloro-3-fluorophenyl)propan-2-amine (CID 117420421) is 2-(2-bromo-4-chloro-3-fluorophenyl)propan-2-amine.
What is the SMILES notation for 2-(2-bromo-4-chloro-3-fluorophenyl)propan-2-amine?
The canonical SMILES for 2-(2-bromo-4-chloro-3-fluorophenyl)propan-2-amine is CC(C)(N)c1ccc(Cl)c(F)c1Br.
What is the InChIKey of 2-(2-bromo-4-chloro-3-fluorophenyl)propan-2-amine?
The InChIKey is MMVYNYJCCYMAPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrClFN/c1-9(2,13)5-3-4-6(11)8(12)7(5)10/h3-4H,13H2,1-2H3.
What are the key properties of 2-(2-bromo-4-chloro-3-fluorophenyl)propan-2-amine?
2-(2-bromo-4-chloro-3-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-(2-bromo-4-chloro-3-fluorophenyl)propan-2-amine is sourced from PubChem (CID 117420421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).