2-(2-bromo-5-fluorophenyl)-1-(4-chloro-3-methylphenyl)ethanamine

C15H14BrClFN — CID 115843687

IUPAC2-(2-bromo-5-fluorophenyl)-1-(4-chloro-3-methylphenyl)ethanamine
SMILESCc1cc(C(N)Cc2cc(F)ccc2Br)ccc1Cl
InChIInChI=1S/C15H14BrClFN/c1-9-6-10(2-5-14(9)17)15(19)8-11-7-12(18)3-4-13(11)16/h2-7,15H,8,19H2,1H3
InChIKeyYZAPBVMOHGBTIX-UHFFFAOYSA-N
MW342.64 g/mol
LogP4.79
Rot. Bonds3

About 2-(2-bromo-5-fluorophenyl)-1-(4-chloro-3-methylphenyl)ethanamine

2-(2-bromo-5-fluorophenyl)-1-(4-chloro-3-methylphenyl)ethanamine (PubChem CID 115843687) has the molecular formula C15H14BrClFN and a molecular weight of 342.64 g/mol. Its IUPAC name is 2-(2-bromo-5-fluorophenyl)-1-(4-chloro-3-methylphenyl)ethanamine.

Molecular Properties

Compound Name2-(2-bromo-5-fluorophenyl)-1-(4-chloro-3-methylphenyl)ethanamine
PubChem CID115843687
Molecular FormulaC15H14BrClFN
Molecular Weight342.64 g/mol
Exact Mass341.00
IUPAC Name2-(2-bromo-5-fluorophenyl)-1-(4-chloro-3-methylphenyl)ethanamine
SMILESCc1cc(C(N)Cc2cc(F)ccc2Br)ccc1Cl
InChIInChI=1S/C15H14BrClFN/c1-9-6-10(2-5-14(9)17)15(19)8-11-7-12(18)3-4-13(11)16/h2-7,15H,8,19H2,1H3
InChIKeyYZAPBVMOHGBTIX-UHFFFAOYSA-N
XLogP4.79
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.64
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-bromo-3-methylphenyl)-2-(2-chloro-5-fluorophenyl)ethanamine
CID 102622572
1-(3-bromo-4-chlorophenyl)-2-(5-fluoro-2-methylphenyl)ethanamine
CID 105374267
2-(2-bromo-5-fluorophenyl)-1-(3-chloro-4-fluorophenyl)ethanamine
CID 63094668
2-(2-chloro-5-fluorophenyl)-1-(3-fluoro-4-methylphenyl)ethanamine
CID 102618457
1-(4-chloro-3-fluorophenyl)-2-(5-fluoro-2-methylphenyl)ethanamine
CID 107995696
1-(4-bromo-2-chlorophenyl)-2-(2-bromo-5-fluorophenyl)ethanamine
CID 115843665
4-[1-amino-2-(2-bromo-5-fluorophenyl)ethyl]-N,N-dimethylaniline
CID 105136786
2-(2-bromo-5-fluorophenyl)-1-(2-methylphenyl)ethanamine
CID 62600298
2-(2-chloro-5-fluorophenyl)-1-(4-chlorophenyl)ethanamine
CID 102618374
1-(4-bromo-3-methylphenyl)-2-(2-chloro-3-fluorophenyl)ethanamine
CID 105032643
2-(2-bromo-5-fluorophenyl)-1-pyrimidin-5-ylethanamine
CID 102923366
2-(2-bromo-5-fluorophenyl)-1-(3-methylfuran-2-yl)ethanamine
CID 113455206

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-5-fluorophenyl)-1-(4-chloro-3-methylphenyl)ethanamine?
The IUPAC name of 2-(2-bromo-5-fluorophenyl)-1-(4-chloro-3-methylphenyl)ethanamine (CID 115843687) is 2-(2-bromo-5-fluorophenyl)-1-(4-chloro-3-methylphenyl)ethanamine.
What is the SMILES notation for 2-(2-bromo-5-fluorophenyl)-1-(4-chloro-3-methylphenyl)ethanamine?
The canonical SMILES for 2-(2-bromo-5-fluorophenyl)-1-(4-chloro-3-methylphenyl)ethanamine is Cc1cc(C(N)Cc2cc(F)ccc2Br)ccc1Cl.
What is the InChIKey of 2-(2-bromo-5-fluorophenyl)-1-(4-chloro-3-methylphenyl)ethanamine?
The InChIKey is YZAPBVMOHGBTIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrClFN/c1-9-6-10(2-5-14(9)17)15(19)8-11-7-12(18)3-4-13(11)16/h2-7,15H,8,19H2,1H3.
What are the key properties of 2-(2-bromo-5-fluorophenyl)-1-(4-chloro-3-methylphenyl)ethanamine?
2-(2-bromo-5-fluorophenyl)-1-(4-chloro-3-methylphenyl)ethanamine has a molecular weight of 342.64 g/mol, XLogP of 4.79, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-5-fluorophenyl)-1-(4-chloro-3-methylphenyl)ethanamine is sourced from PubChem (CID 115843687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).