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

C15H14BrClFN — CID 107985554

IUPAC1-(2-bromo-3-methylphenyl)-2-(5-chloro-2-fluorophenyl)ethanamine
SMILESCc1cccc(C(N)Cc2cc(Cl)ccc2F)c1Br
InChIInChI=1S/C15H14BrClFN/c1-9-3-2-4-12(15(9)16)14(19)8-10-7-11(17)5-6-13(10)18/h2-7,14H,8,19H2,1H3
InChIKeyYHDFYVRSJNRNPC-UHFFFAOYSA-N
MW342.64 g/mol
LogP4.79
Rot. Bonds3

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

1-(2-bromo-3-methylphenyl)-2-(5-chloro-2-fluorophenyl)ethanamine (PubChem CID 107985554) has the molecular formula C15H14BrClFN and a molecular weight of 342.64 g/mol. Its IUPAC name is 1-(2-bromo-3-methylphenyl)-2-(5-chloro-2-fluorophenyl)ethanamine.

Molecular Properties

Compound Name1-(2-bromo-3-methylphenyl)-2-(5-chloro-2-fluorophenyl)ethanamine
PubChem CID107985554
Molecular FormulaC15H14BrClFN
Molecular Weight342.64 g/mol
Exact Mass341.00
IUPAC Name1-(2-bromo-3-methylphenyl)-2-(5-chloro-2-fluorophenyl)ethanamine
SMILESCc1cccc(C(N)Cc2cc(Cl)ccc2F)c1Br
InChIInChI=1S/C15H14BrClFN/c1-9-3-2-4-12(15(9)16)14(19)8-10-7-11(17)5-6-13(10)18/h2-7,14H,8,19H2,1H3
InChIKeyYHDFYVRSJNRNPC-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-(2-bromo-3-methylphenyl)-2-(2,4-difluorophenyl)ethanamine
CID 107982860
1-(3-bromo-2-fluorophenyl)-2-(5-chloro-2-fluorophenyl)ethanamine
CID 107953888
2-(5-chloro-2-fluorophenyl)-1-(2,4-dibromophenyl)ethanamine
CID 107947077
2-(5-bromo-2-fluorophenyl)-1-(2,3-dichlorophenyl)ethanamine
CID 115839801
[2-(5-chloro-2-fluorophenyl)-1-(2-fluoro-3-methylphenyl)ethyl]hydrazine
CID 103053835
2-(5-bromo-2-methoxyphenyl)-1-(2-bromo-3-methylphenyl)ethanamine
CID 107984787
(2-bromo-3-methylphenyl)-(2,4-dichlorophenyl)methanamine
CID 107981990
2-(5-chloro-2-fluorophenyl)-1-(6-methyl-2-pyridinyl)ethanamine
CID 103048658
2-(2-bromo-3-fluorophenyl)-1-(2,4-dichlorophenyl)ethanamine
CID 105020396
1-(2-bromo-3-methylphenyl)-2-(2,5-difluorophenyl)-N-methylethanamine
CID 107984776
2-(2-bromo-4-fluorophenyl)-1-(2-chloro-3-methylphenyl)ethanamine
CID 115843175
2-(5-chloro-2-fluorophenyl)-1-(3,5-dimethylphenyl)ethanamine
CID 103053134

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-3-methylphenyl)-2-(5-chloro-2-fluorophenyl)ethanamine?
The IUPAC name of 1-(2-bromo-3-methylphenyl)-2-(5-chloro-2-fluorophenyl)ethanamine (CID 107985554) is 1-(2-bromo-3-methylphenyl)-2-(5-chloro-2-fluorophenyl)ethanamine.
What is the SMILES notation for 1-(2-bromo-3-methylphenyl)-2-(5-chloro-2-fluorophenyl)ethanamine?
The canonical SMILES for 1-(2-bromo-3-methylphenyl)-2-(5-chloro-2-fluorophenyl)ethanamine is Cc1cccc(C(N)Cc2cc(Cl)ccc2F)c1Br.
What is the InChIKey of 1-(2-bromo-3-methylphenyl)-2-(5-chloro-2-fluorophenyl)ethanamine?
The InChIKey is YHDFYVRSJNRNPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrClFN/c1-9-3-2-4-12(15(9)16)14(19)8-10-7-11(17)5-6-13(10)18/h2-7,14H,8,19H2,1H3.
What are the key properties of 1-(2-bromo-3-methylphenyl)-2-(5-chloro-2-fluorophenyl)ethanamine?
1-(2-bromo-3-methylphenyl)-2-(5-chloro-2-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-(2-bromo-3-methylphenyl)-2-(5-chloro-2-fluorophenyl)ethanamine is sourced from PubChem (CID 107985554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).