1-(2-bromo-6-fluorophenyl)-2-(2,5-dimethylphenyl)ethanamine

C16H17BrFN — CID 114559956

IUPAC1-(2-bromo-6-fluorophenyl)-2-(2,5-dimethylphenyl)ethanamine
SMILESCc1ccc(C)c(CC(N)c2c(F)cccc2Br)c1
InChIInChI=1S/C16H17BrFN/c1-10-6-7-11(2)12(8-10)9-15(19)16-13(17)4-3-5-14(16)18/h3-8,15H,9,19H2,1-2H3
InChIKeyPKMPGXLAUJCRGU-UHFFFAOYSA-N
MW322.22 g/mol
LogP4.45
Rot. Bonds3

About 1-(2-bromo-6-fluorophenyl)-2-(2,5-dimethylphenyl)ethanamine

1-(2-bromo-6-fluorophenyl)-2-(2,5-dimethylphenyl)ethanamine (PubChem CID 114559956) has the molecular formula C16H17BrFN and a molecular weight of 322.22 g/mol. Its IUPAC name is 1-(2-bromo-6-fluorophenyl)-2-(2,5-dimethylphenyl)ethanamine.

Molecular Properties

Compound Name1-(2-bromo-6-fluorophenyl)-2-(2,5-dimethylphenyl)ethanamine
PubChem CID114559956
Molecular FormulaC16H17BrFN
Molecular Weight322.22 g/mol
Exact Mass321.05
IUPAC Name1-(2-bromo-6-fluorophenyl)-2-(2,5-dimethylphenyl)ethanamine
SMILESCc1ccc(C)c(CC(N)c2c(F)cccc2Br)c1
InChIInChI=1S/C16H17BrFN/c1-10-6-7-11(2)12(8-10)9-15(19)16-13(17)4-3-5-14(16)18/h3-8,15H,9,19H2,1-2H3
InChIKeyPKMPGXLAUJCRGU-UHFFFAOYSA-N
XLogP4.45
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.22
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-bromo-6-fluorophenyl)-2-(2,6-dimethylphenyl)ethanamine
CID 114886689
1-(2,6-difluoro-4-methoxyphenyl)-2-(2,5-dimethylphenyl)ethanamine
CID 62538840
1-(4-bromo-5-chloro-2-fluorophenyl)-2-(2,5-dimethylphenyl)ethanamine
CID 105398473
1-(2,6-difluorophenyl)-2-(2-methylphenyl)ethanamine
CID 61078898
1-(2-bromo-6-fluorophenyl)-2-(3-fluorophenyl)ethanamine
CID 114559896
1-(2,4-difluoro-5-methylphenyl)-2-(2,5-dimethylphenyl)ethanamine
CID 79724685
1-(2-bromo-6-fluorophenyl)-2-(5-ethylthiophen-2-yl)ethanamine
CID 114886671
1-(2-bromo-6-fluorophenyl)-2-(2,6-dichlorophenyl)ethanamine
CID 114886632
1-(3-chloro-2-fluorophenyl)-2-(2,5-dimethylphenyl)ethanamine
CID 64713976
2-(2-chloro-3-fluorophenyl)-1-(2,5-dimethylphenyl)ethanamine
CID 105032399
(1S)-1-(2-bromo-6-fluorophenyl)butane-1,4-diamine
CID 171223208
1-(2,3-dimethylphenyl)-2-(2,5-dimethylphenyl)ethanamine
CID 62538026

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-6-fluorophenyl)-2-(2,5-dimethylphenyl)ethanamine?
The IUPAC name of 1-(2-bromo-6-fluorophenyl)-2-(2,5-dimethylphenyl)ethanamine (CID 114559956) is 1-(2-bromo-6-fluorophenyl)-2-(2,5-dimethylphenyl)ethanamine.
What is the SMILES notation for 1-(2-bromo-6-fluorophenyl)-2-(2,5-dimethylphenyl)ethanamine?
The canonical SMILES for 1-(2-bromo-6-fluorophenyl)-2-(2,5-dimethylphenyl)ethanamine is Cc1ccc(C)c(CC(N)c2c(F)cccc2Br)c1.
What is the InChIKey of 1-(2-bromo-6-fluorophenyl)-2-(2,5-dimethylphenyl)ethanamine?
The InChIKey is PKMPGXLAUJCRGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrFN/c1-10-6-7-11(2)12(8-10)9-15(19)16-13(17)4-3-5-14(16)18/h3-8,15H,9,19H2,1-2H3.
What are the key properties of 1-(2-bromo-6-fluorophenyl)-2-(2,5-dimethylphenyl)ethanamine?
1-(2-bromo-6-fluorophenyl)-2-(2,5-dimethylphenyl)ethanamine has a molecular weight of 322.22 g/mol, XLogP of 4.45, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-6-fluorophenyl)-2-(2,5-dimethylphenyl)ethanamine is sourced from PubChem (CID 114559956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).