1-(4-bromo-3,5-dimethylphenyl)-2-(2,6-dichlorophenyl)ethanamine

C16H16BrCl2N — CID 114330130

IUPAC1-(4-bromo-3,5-dimethylphenyl)-2-(2,6-dichlorophenyl)ethanamine
SMILESCc1cc(C(N)Cc2c(Cl)cccc2Cl)cc(C)c1Br
InChIInChI=1S/C16H16BrCl2N/c1-9-6-11(7-10(2)16(9)17)15(20)8-12-13(18)4-3-5-14(12)19/h3-7,15H,8,20H2,1-2H3
InChIKeyFIJRJARXFSNYSF-UHFFFAOYSA-N
MW373.12 g/mol
LogP5.62
Rot. Bonds3

About 1-(4-bromo-3,5-dimethylphenyl)-2-(2,6-dichlorophenyl)ethanamine

1-(4-bromo-3,5-dimethylphenyl)-2-(2,6-dichlorophenyl)ethanamine (PubChem CID 114330130) has the molecular formula C16H16BrCl2N and a molecular weight of 373.12 g/mol. Its IUPAC name is 1-(4-bromo-3,5-dimethylphenyl)-2-(2,6-dichlorophenyl)ethanamine.

Molecular Properties

Compound Name1-(4-bromo-3,5-dimethylphenyl)-2-(2,6-dichlorophenyl)ethanamine
PubChem CID114330130
Molecular FormulaC16H16BrCl2N
Molecular Weight373.12 g/mol
Exact Mass370.98
IUPAC Name1-(4-bromo-3,5-dimethylphenyl)-2-(2,6-dichlorophenyl)ethanamine
SMILESCc1cc(C(N)Cc2c(Cl)cccc2Cl)cc(C)c1Br
InChIInChI=1S/C16H16BrCl2N/c1-9-6-11(7-10(2)16(9)17)15(20)8-12-13(18)4-3-5-14(12)19/h3-7,15H,8,20H2,1-2H3
InChIKeyFIJRJARXFSNYSF-UHFFFAOYSA-N
XLogP5.62
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.12
LogP ≤ 55.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[1-(4-bromo-3,5-dimethylphenyl)-2-(2,6-dichlorophenyl)ethyl]hydrazine
CID 105279419
2-(2,6-dichlorophenyl)-1-(3,5-dimethylphenyl)ethanamine
CID 63414806
1-(3,5-dibromophenyl)-2-(2,6-dichlorophenyl)ethanamine
CID 107974218
1-(4-bromo-3,5-dimethylphenyl)-2-(2,6-dichlorophenyl)-N-methylethanamine
CID 114330396
2-(2,6-dichlorophenyl)-1-(3-fluoro-5-methylphenyl)ethanamine
CID 79704202
1-(4-bromo-3,5-dimethylphenyl)-2-(4-chloro-3-fluorophenyl)ethanamine
CID 107885245
2-(2,6-dichlorophenyl)-1-(5-methylthiophen-3-yl)ethanamine
CID 65104969
2-(2,6-dichlorophenyl)-1-phenylethanamine
CID 55133818
2-(2,6-dichlorophenyl)-1-(6-methyl-3-pyridinyl)ethanamine
CID 63155828
2-(2,6-dichlorophenyl)-1-(3-methoxy-4-methylphenyl)ethanamine
CID 115830327
2-(2,6-dichlorophenyl)-1-(4-ethylphenyl)ethanamine
CID 63412435
2-(2-chloro-6-fluorophenyl)-1-(3-fluoro-4-methylphenyl)ethanamine
CID 55138858

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-3,5-dimethylphenyl)-2-(2,6-dichlorophenyl)ethanamine?
The IUPAC name of 1-(4-bromo-3,5-dimethylphenyl)-2-(2,6-dichlorophenyl)ethanamine (CID 114330130) is 1-(4-bromo-3,5-dimethylphenyl)-2-(2,6-dichlorophenyl)ethanamine.
What is the SMILES notation for 1-(4-bromo-3,5-dimethylphenyl)-2-(2,6-dichlorophenyl)ethanamine?
The canonical SMILES for 1-(4-bromo-3,5-dimethylphenyl)-2-(2,6-dichlorophenyl)ethanamine is Cc1cc(C(N)Cc2c(Cl)cccc2Cl)cc(C)c1Br.
What is the InChIKey of 1-(4-bromo-3,5-dimethylphenyl)-2-(2,6-dichlorophenyl)ethanamine?
The InChIKey is FIJRJARXFSNYSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrCl2N/c1-9-6-11(7-10(2)16(9)17)15(20)8-12-13(18)4-3-5-14(12)19/h3-7,15H,8,20H2,1-2H3.
What are the key properties of 1-(4-bromo-3,5-dimethylphenyl)-2-(2,6-dichlorophenyl)ethanamine?
1-(4-bromo-3,5-dimethylphenyl)-2-(2,6-dichlorophenyl)ethanamine has a molecular weight of 373.12 g/mol, XLogP of 5.62, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-3,5-dimethylphenyl)-2-(2,6-dichlorophenyl)ethanamine is sourced from PubChem (CID 114330130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).