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

C15H14BrClFN — CID 102622572

IUPAC1-(4-bromo-3-methylphenyl)-2-(2-chloro-5-fluorophenyl)ethanamine
SMILESCc1cc(C(N)Cc2cc(F)ccc2Cl)ccc1Br
InChIInChI=1S/C15H14BrClFN/c1-9-6-10(2-4-13(9)16)15(19)8-11-7-12(18)3-5-14(11)17/h2-7,15H,8,19H2,1H3
InChIKeyXHXOYDZIRALBRT-UHFFFAOYSA-N
MW342.64 g/mol
LogP4.79
Rot. Bonds3

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

1-(4-bromo-3-methylphenyl)-2-(2-chloro-5-fluorophenyl)ethanamine (PubChem CID 102622572) has the molecular formula C15H14BrClFN and a molecular weight of 342.64 g/mol. Its IUPAC name is 1-(4-bromo-3-methylphenyl)-2-(2-chloro-5-fluorophenyl)ethanamine.

Molecular Properties

Compound Name1-(4-bromo-3-methylphenyl)-2-(2-chloro-5-fluorophenyl)ethanamine
PubChem CID102622572
Molecular FormulaC15H14BrClFN
Molecular Weight342.64 g/mol
Exact Mass341.00
IUPAC Name1-(4-bromo-3-methylphenyl)-2-(2-chloro-5-fluorophenyl)ethanamine
SMILESCc1cc(C(N)Cc2cc(F)ccc2Cl)ccc1Br
InChIInChI=1S/C15H14BrClFN/c1-9-6-10(2-4-13(9)16)15(19)8-11-7-12(18)3-5-14(11)17/h2-7,15H,8,19H2,1H3
InChIKeyXHXOYDZIRALBRT-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-bromo-5-fluorophenyl)-1-(4-chloro-3-methylphenyl)ethanamine
CID 115843687
1-(3-bromo-4-chlorophenyl)-2-(5-fluoro-2-methylphenyl)ethanamine
CID 105374267
2-(2-chloro-5-fluorophenyl)-1-(3-fluoro-4-methylphenyl)ethanamine
CID 102618457
1-(4-bromo-3-methylphenyl)-2-(2-chloro-5-fluorophenyl)-N-ethylethanamine
CID 102622870
2-(2-chloro-5-fluorophenyl)-1-(4-chlorophenyl)ethanamine
CID 102618374
2-(2-bromo-5-fluorophenyl)-1-(3-chloro-4-fluorophenyl)ethanamine
CID 63094668
1-(4-chloro-3-fluorophenyl)-2-(5-fluoro-2-methylphenyl)ethanamine
CID 107995696
1-(4-bromo-3-methylphenyl)-2-(2-chloro-3-fluorophenyl)ethanamine
CID 105032643
2-(5-bromo-2-fluorophenyl)-1-(4-bromo-3-methylphenyl)ethanamine
CID 115839764
1-(4-tert-butylphenyl)-2-(2-chloro-5-fluorophenyl)ethanamine
CID 102622505
2-(2-chloro-5-fluorophenyl)-1-(2,6-dimethyl-4-pyridinyl)ethanamine
CID 107503345
2-(2-chloro-5-fluorophenyl)-1-(3,4,5-trifluorophenyl)ethanamine
CID 102618763

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-3-methylphenyl)-2-(2-chloro-5-fluorophenyl)ethanamine?
The IUPAC name of 1-(4-bromo-3-methylphenyl)-2-(2-chloro-5-fluorophenyl)ethanamine (CID 102622572) is 1-(4-bromo-3-methylphenyl)-2-(2-chloro-5-fluorophenyl)ethanamine.
What is the SMILES notation for 1-(4-bromo-3-methylphenyl)-2-(2-chloro-5-fluorophenyl)ethanamine?
The canonical SMILES for 1-(4-bromo-3-methylphenyl)-2-(2-chloro-5-fluorophenyl)ethanamine is Cc1cc(C(N)Cc2cc(F)ccc2Cl)ccc1Br.
What is the InChIKey of 1-(4-bromo-3-methylphenyl)-2-(2-chloro-5-fluorophenyl)ethanamine?
The InChIKey is XHXOYDZIRALBRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrClFN/c1-9-6-10(2-4-13(9)16)15(19)8-11-7-12(18)3-5-14(11)17/h2-7,15H,8,19H2,1H3.
What are the key properties of 1-(4-bromo-3-methylphenyl)-2-(2-chloro-5-fluorophenyl)ethanamine?
1-(4-bromo-3-methylphenyl)-2-(2-chloro-5-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-(4-bromo-3-methylphenyl)-2-(2-chloro-5-fluorophenyl)ethanamine is sourced from PubChem (CID 102622572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).