1-(2-bromo-4-fluorophenyl)-3-(2-chloro-4-fluorophenyl)propan-2-amine

C15H13BrClF2N — CID 63420117

IUPAC1-(2-bromo-4-fluorophenyl)-3-(2-chloro-4-fluorophenyl)propan-2-amine
SMILESNC(Cc1ccc(F)cc1Cl)Cc1ccc(F)cc1Br
InChIInChI=1S/C15H13BrClF2N/c16-14-7-11(18)3-1-9(14)5-13(20)6-10-2-4-12(19)8-15(10)17/h1-4,7-8,13H,5-6,20H2
InChIKeyLKFMNSHALPQYFG-UHFFFAOYSA-N
MW360.63 g/mol
LogP4.49
Rot. Bonds4

About 1-(2-bromo-4-fluorophenyl)-3-(2-chloro-4-fluorophenyl)propan-2-amine

1-(2-bromo-4-fluorophenyl)-3-(2-chloro-4-fluorophenyl)propan-2-amine (PubChem CID 63420117) has the molecular formula C15H13BrClF2N and a molecular weight of 360.63 g/mol. Its IUPAC name is 1-(2-bromo-4-fluorophenyl)-3-(2-chloro-4-fluorophenyl)propan-2-amine.

Molecular Properties

Compound Name1-(2-bromo-4-fluorophenyl)-3-(2-chloro-4-fluorophenyl)propan-2-amine
PubChem CID63420117
Molecular FormulaC15H13BrClF2N
Molecular Weight360.63 g/mol
Exact Mass358.99
IUPAC Name1-(2-bromo-4-fluorophenyl)-3-(2-chloro-4-fluorophenyl)propan-2-amine
SMILESNC(Cc1ccc(F)cc1Cl)Cc1ccc(F)cc1Br
InChIInChI=1S/C15H13BrClF2N/c16-14-7-11(18)3-1-9(14)5-13(20)6-10-2-4-12(19)8-15(10)17/h1-4,7-8,13H,5-6,20H2
InChIKeyLKFMNSHALPQYFG-UHFFFAOYSA-N
XLogP4.49
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.63
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-bromophenyl)-3-(2-chloro-4-fluorophenyl)propan-2-amine
CID 55118420
1-(2-chloro-4-fluorophenyl)-3-(3,5-difluorophenyl)propan-2-amine
CID 62603337
1-(5-bromo-3-pyridinyl)-3-(2-chloro-4-fluorophenyl)propan-2-amine
CID 104801933
1-(2-bromophenyl)-3-(2-chloro-5-fluorophenyl)propan-2-amine
CID 102618839
1-(2-bromo-4-fluorophenyl)-3-(3,4-difluorophenyl)propan-2-amine
CID 115843232
1-(2-chloro-4-fluorophenyl)-4,4-dimethylpentan-2-amine
CID 63890430
1-(2-chloro-4-fluorophenyl)propan-2-amine
CID 62600100
2-(4-bromo-2-chlorophenyl)-1-(2-bromo-4-fluorophenyl)ethanamine
CID 105037980
1-(2-bromo-4-fluorophenyl)-3-ethylsulfanylpropan-2-amine
CID 65128193
1,2-bis(2-bromo-4-fluorophenyl)ethanamine
CID 115843294
1-(2-bromo-4-fluorophenyl)-3-cyclopentylpropan-2-amine
CID 115843237
1-(3-bromo-5-fluorophenyl)-2-(2-chloro-4-fluorophenyl)ethanamine
CID 66425660

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-4-fluorophenyl)-3-(2-chloro-4-fluorophenyl)propan-2-amine?
The IUPAC name of 1-(2-bromo-4-fluorophenyl)-3-(2-chloro-4-fluorophenyl)propan-2-amine (CID 63420117) is 1-(2-bromo-4-fluorophenyl)-3-(2-chloro-4-fluorophenyl)propan-2-amine.
What is the SMILES notation for 1-(2-bromo-4-fluorophenyl)-3-(2-chloro-4-fluorophenyl)propan-2-amine?
The canonical SMILES for 1-(2-bromo-4-fluorophenyl)-3-(2-chloro-4-fluorophenyl)propan-2-amine is NC(Cc1ccc(F)cc1Cl)Cc1ccc(F)cc1Br.
What is the InChIKey of 1-(2-bromo-4-fluorophenyl)-3-(2-chloro-4-fluorophenyl)propan-2-amine?
The InChIKey is LKFMNSHALPQYFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrClF2N/c16-14-7-11(18)3-1-9(14)5-13(20)6-10-2-4-12(19)8-15(10)17/h1-4,7-8,13H,5-6,20H2.
What are the key properties of 1-(2-bromo-4-fluorophenyl)-3-(2-chloro-4-fluorophenyl)propan-2-amine?
1-(2-bromo-4-fluorophenyl)-3-(2-chloro-4-fluorophenyl)propan-2-amine has a molecular weight of 360.63 g/mol, XLogP of 4.49, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-4-fluorophenyl)-3-(2-chloro-4-fluorophenyl)propan-2-amine is sourced from PubChem (CID 63420117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).