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

C15H14BrClFN — CID 107891519

IUPAC1-(3-bromo-5-methylphenyl)-2-(4-chloro-3-fluorophenyl)ethanamine
SMILESCc1cc(Br)cc(C(N)Cc2ccc(Cl)c(F)c2)c1
InChIInChI=1S/C15H14BrClFN/c1-9-4-11(8-12(16)5-9)15(19)7-10-2-3-13(17)14(18)6-10/h2-6,8,15H,7,19H2,1H3
InChIKeyINLUQGSFNKTBEX-UHFFFAOYSA-N
MW342.64 g/mol
LogP4.79
Rot. Bonds3

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

1-(3-bromo-5-methylphenyl)-2-(4-chloro-3-fluorophenyl)ethanamine (PubChem CID 107891519) has the molecular formula C15H14BrClFN and a molecular weight of 342.64 g/mol. Its IUPAC name is 1-(3-bromo-5-methylphenyl)-2-(4-chloro-3-fluorophenyl)ethanamine.

Molecular Properties

Compound Name1-(3-bromo-5-methylphenyl)-2-(4-chloro-3-fluorophenyl)ethanamine
PubChem CID107891519
Molecular FormulaC15H14BrClFN
Molecular Weight342.64 g/mol
Exact Mass341.00
IUPAC Name1-(3-bromo-5-methylphenyl)-2-(4-chloro-3-fluorophenyl)ethanamine
SMILESCc1cc(Br)cc(C(N)Cc2ccc(Cl)c(F)c2)c1
InChIInChI=1S/C15H14BrClFN/c1-9-4-11(8-12(16)5-9)15(19)7-10-2-3-13(17)14(18)6-10/h2-6,8,15H,7,19H2,1H3
InChIKeyINLUQGSFNKTBEX-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

2-(4-chloro-3-fluorophenyl)-1-(3-fluoro-5-methylphenyl)ethanamine
CID 107885041
1-(4-bromo-3,5-dimethylphenyl)-2-(4-chloro-3-fluorophenyl)ethanamine
CID 107885245
1-(3-bromo-5-methylphenyl)-2-(4-fluorophenyl)ethanamine
CID 104853137
1-(3-bromo-4-chlorophenyl)-2-(4-chloro-3-fluorophenyl)ethanamine
CID 107885076
1-(5-bromo-2-methylphenyl)-2-(4-chloro-3-fluorophenyl)ethanamine
CID 107891666
1-(3-bromo-5-methylphenyl)-2-(3-methylphenyl)ethanamine
CID 113460856
1-(3,5-dibromophenyl)-2-(4-methylphenyl)ethanamine
CID 107973615
1-(3-bromo-4-methoxyphenyl)-2-(4-chloro-3-fluorophenyl)ethanamine
CID 107885311
2-(4-bromophenyl)-1-(3-chloro-5-methylphenyl)ethanamine
CID 81323419
2-(4-chloro-3-fluorophenyl)-1-pyridin-4-ylethanamine
CID 114012684
2-(4-chloro-3-fluorophenyl)-1-(3-fluoro-5-methylphenyl)ethanol
CID 107884328
2-(3-chloro-4-fluorophenyl)-1-(4-chloro-3-fluorophenyl)ethanamine
CID 107995842

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-5-methylphenyl)-2-(4-chloro-3-fluorophenyl)ethanamine?
The IUPAC name of 1-(3-bromo-5-methylphenyl)-2-(4-chloro-3-fluorophenyl)ethanamine (CID 107891519) is 1-(3-bromo-5-methylphenyl)-2-(4-chloro-3-fluorophenyl)ethanamine.
What is the SMILES notation for 1-(3-bromo-5-methylphenyl)-2-(4-chloro-3-fluorophenyl)ethanamine?
The canonical SMILES for 1-(3-bromo-5-methylphenyl)-2-(4-chloro-3-fluorophenyl)ethanamine is Cc1cc(Br)cc(C(N)Cc2ccc(Cl)c(F)c2)c1.
What is the InChIKey of 1-(3-bromo-5-methylphenyl)-2-(4-chloro-3-fluorophenyl)ethanamine?
The InChIKey is INLUQGSFNKTBEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrClFN/c1-9-4-11(8-12(16)5-9)15(19)7-10-2-3-13(17)14(18)6-10/h2-6,8,15H,7,19H2,1H3.
What are the key properties of 1-(3-bromo-5-methylphenyl)-2-(4-chloro-3-fluorophenyl)ethanamine?
1-(3-bromo-5-methylphenyl)-2-(4-chloro-3-fluorophenyl)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 1-(3-bromo-5-methylphenyl)-2-(4-chloro-3-fluorophenyl)ethanamine is sourced from PubChem (CID 107891519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).