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

C15H14BrClFN — CID 105032643

IUPAC1-(4-bromo-3-methylphenyl)-2-(2-chloro-3-fluorophenyl)ethanamine
SMILESCc1cc(C(N)Cc2cccc(F)c2Cl)ccc1Br
InChIInChI=1S/C15H14BrClFN/c1-9-7-10(5-6-12(9)16)14(19)8-11-3-2-4-13(18)15(11)17/h2-7,14H,8,19H2,1H3
InChIKeyOFCQILPRBKVDOD-UHFFFAOYSA-N
MW342.64 g/mol
LogP4.79
Rot. Bonds3

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

1-(4-bromo-3-methylphenyl)-2-(2-chloro-3-fluorophenyl)ethanamine (PubChem CID 105032643) 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-3-fluorophenyl)ethanamine.

Molecular Properties

Compound Name1-(4-bromo-3-methylphenyl)-2-(2-chloro-3-fluorophenyl)ethanamine
PubChem CID105032643
Molecular FormulaC15H14BrClFN
Molecular Weight342.64 g/mol
Exact Mass341.00
IUPAC Name1-(4-bromo-3-methylphenyl)-2-(2-chloro-3-fluorophenyl)ethanamine
SMILESCc1cc(C(N)Cc2cccc(F)c2Cl)ccc1Br
InChIInChI=1S/C15H14BrClFN/c1-9-7-10(5-6-12(9)16)14(19)8-11-3-2-4-13(18)15(11)17/h2-7,14H,8,19H2,1H3
InChIKeyOFCQILPRBKVDOD-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-3-fluorophenyl)ethanol
CID 112653147
1-(3-bromo-4-chlorophenyl)-2-(2-chloro-3-fluorophenyl)ethanamine
CID 112653947
2-(2-chloro-3-fluorophenyl)-1-(3-fluorophenyl)ethanamine
CID 112653545
2-(5-bromo-2-fluorophenyl)-1-(4-bromo-3-methylphenyl)ethanamine
CID 115839764
1-(4-bromo-3-methylphenyl)-2-(2-chloro-5-fluorophenyl)ethanamine
CID 102622572
2-(2-bromo-3-fluorophenyl)-1-(4-bromo-3-fluorophenyl)ethanamine
CID 105020699
2-(2-chloro-3-fluorophenyl)-1-(2-fluoro-3-methylphenyl)ethanamine
CID 105032385
1-bromo-4-[(2-chloro-3-fluorophenyl)methoxy]-2-methylbenzene
CID 112652330
2-(2-chloro-3-fluorophenyl)-1-(2,5-dimethylphenyl)ethanamine
CID 105032399
1-bromo-4-[1-chloro-2-(2,3-difluorophenyl)ethyl]-2-methylbenzene
CID 113396998
1-bromo-4-[1-chloro-2-(2-fluorophenyl)ethyl]-2-methylbenzene
CID 113396989
2-(3-bromo-4-fluorophenyl)-1-(4-bromo-3-methylphenyl)ethanamine
CID 115818982

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-3-methylphenyl)-2-(2-chloro-3-fluorophenyl)ethanamine?
The IUPAC name of 1-(4-bromo-3-methylphenyl)-2-(2-chloro-3-fluorophenyl)ethanamine (CID 105032643) is 1-(4-bromo-3-methylphenyl)-2-(2-chloro-3-fluorophenyl)ethanamine.
What is the SMILES notation for 1-(4-bromo-3-methylphenyl)-2-(2-chloro-3-fluorophenyl)ethanamine?
The canonical SMILES for 1-(4-bromo-3-methylphenyl)-2-(2-chloro-3-fluorophenyl)ethanamine is Cc1cc(C(N)Cc2cccc(F)c2Cl)ccc1Br.
What is the InChIKey of 1-(4-bromo-3-methylphenyl)-2-(2-chloro-3-fluorophenyl)ethanamine?
The InChIKey is OFCQILPRBKVDOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrClFN/c1-9-7-10(5-6-12(9)16)14(19)8-11-3-2-4-13(18)15(11)17/h2-7,14H,8,19H2,1H3.
What are the key properties of 1-(4-bromo-3-methylphenyl)-2-(2-chloro-3-fluorophenyl)ethanamine?
1-(4-bromo-3-methylphenyl)-2-(2-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-(4-bromo-3-methylphenyl)-2-(2-chloro-3-fluorophenyl)ethanamine is sourced from PubChem (CID 105032643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).