1-(2-bromo-5-methylphenyl)-2-(2,5-dichlorophenyl)ethanamine

C15H14BrCl2N — CID 115863331

IUPAC1-(2-bromo-5-methylphenyl)-2-(2,5-dichlorophenyl)ethanamine
SMILESCc1ccc(Br)c(C(N)Cc2cc(Cl)ccc2Cl)c1
InChIInChI=1S/C15H14BrCl2N/c1-9-2-4-13(16)12(6-9)15(19)8-10-7-11(17)3-5-14(10)18/h2-7,15H,8,19H2,1H3
InChIKeyFDWSUWJZFZNCLP-UHFFFAOYSA-N
MW359.09 g/mol
LogP5.31
Rot. Bonds3

About 1-(2-bromo-5-methylphenyl)-2-(2,5-dichlorophenyl)ethanamine

1-(2-bromo-5-methylphenyl)-2-(2,5-dichlorophenyl)ethanamine (PubChem CID 115863331) has the molecular formula C15H14BrCl2N and a molecular weight of 359.09 g/mol. Its IUPAC name is 1-(2-bromo-5-methylphenyl)-2-(2,5-dichlorophenyl)ethanamine.

Molecular Properties

Compound Name1-(2-bromo-5-methylphenyl)-2-(2,5-dichlorophenyl)ethanamine
PubChem CID115863331
Molecular FormulaC15H14BrCl2N
Molecular Weight359.09 g/mol
Exact Mass356.97
IUPAC Name1-(2-bromo-5-methylphenyl)-2-(2,5-dichlorophenyl)ethanamine
SMILESCc1ccc(Br)c(C(N)Cc2cc(Cl)ccc2Cl)c1
InChIInChI=1S/C15H14BrCl2N/c1-9-2-4-13(16)12(6-9)15(19)8-10-7-11(17)3-5-14(10)18/h2-7,15H,8,19H2,1H3
InChIKeyFDWSUWJZFZNCLP-UHFFFAOYSA-N
XLogP5.31
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.09
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-bromo-5-methylphenyl)-2-(2,5-dichlorophenyl)ethanol
CID 115802065
2-(2,5-dichlorophenyl)-1-(2,4-dimethylphenyl)ethanamine
CID 115862990
1-(2-bromo-5-methylphenyl)-2-(2,4-difluorophenyl)ethanamine
CID 81111888
1-(5-chloro-2-fluorophenyl)-2-(2,5-dichlorophenyl)ethanamine
CID 114885921
2-(2-chloro-5-fluorophenyl)-1-(2,5-dichlorophenyl)ethanamine
CID 102622560
2-(2-chloro-4-methylphenyl)-1-(5-chloro-2-methylphenyl)ethanamine
CID 106866367
[2-(2,5-dichlorophenyl)-1-(2-fluoro-5-methylphenyl)ethyl]hydrazine
CID 105309794
1-(2-bromo-5-methylphenyl)-2-(3-methylphenyl)ethanamine
CID 81111638
2-(2,5-dichlorophenyl)-1-(4-propan-2-ylphenyl)ethanamine
CID 65321175
2-(4-bromo-2-chlorophenyl)-1-(2,5-dichlorophenyl)ethanamine
CID 105037869
1-(2-bromo-3,4-difluorophenyl)-2-(2-chloro-4-methylphenyl)ethanamine
CID 107538663
1-(2-bromo-5-methoxyphenyl)-2-(4-chloro-2-fluorophenyl)ethanamine
CID 105190420

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-5-methylphenyl)-2-(2,5-dichlorophenyl)ethanamine?
The IUPAC name of 1-(2-bromo-5-methylphenyl)-2-(2,5-dichlorophenyl)ethanamine (CID 115863331) is 1-(2-bromo-5-methylphenyl)-2-(2,5-dichlorophenyl)ethanamine.
What is the SMILES notation for 1-(2-bromo-5-methylphenyl)-2-(2,5-dichlorophenyl)ethanamine?
The canonical SMILES for 1-(2-bromo-5-methylphenyl)-2-(2,5-dichlorophenyl)ethanamine is Cc1ccc(Br)c(C(N)Cc2cc(Cl)ccc2Cl)c1.
What is the InChIKey of 1-(2-bromo-5-methylphenyl)-2-(2,5-dichlorophenyl)ethanamine?
The InChIKey is FDWSUWJZFZNCLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrCl2N/c1-9-2-4-13(16)12(6-9)15(19)8-10-7-11(17)3-5-14(10)18/h2-7,15H,8,19H2,1H3.
What are the key properties of 1-(2-bromo-5-methylphenyl)-2-(2,5-dichlorophenyl)ethanamine?
1-(2-bromo-5-methylphenyl)-2-(2,5-dichlorophenyl)ethanamine has a molecular weight of 359.09 g/mol, XLogP of 5.31, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-5-methylphenyl)-2-(2,5-dichlorophenyl)ethanamine is sourced from PubChem (CID 115863331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).