1-(4-bromo-2,6-difluorophenyl)-2-(4-ethylphenyl)ethanamine

C16H16BrF2N — CID 115803938

IUPAC1-(4-bromo-2,6-difluorophenyl)-2-(4-ethylphenyl)ethanamine
SMILESCCc1ccc(CC(N)c2c(F)cc(Br)cc2F)cc1
InChIInChI=1S/C16H16BrF2N/c1-2-10-3-5-11(6-4-10)7-15(20)16-13(18)8-12(17)9-14(16)19/h3-6,8-9,15H,2,7,20H2,1H3
InChIKeyMXIMQMMIQHZWBD-UHFFFAOYSA-N
MW340.21 g/mol
LogP4.53
Rot. Bonds4

About 1-(4-bromo-2,6-difluorophenyl)-2-(4-ethylphenyl)ethanamine

1-(4-bromo-2,6-difluorophenyl)-2-(4-ethylphenyl)ethanamine (PubChem CID 115803938) has the molecular formula C16H16BrF2N and a molecular weight of 340.21 g/mol. Its IUPAC name is 1-(4-bromo-2,6-difluorophenyl)-2-(4-ethylphenyl)ethanamine.

Molecular Properties

Compound Name1-(4-bromo-2,6-difluorophenyl)-2-(4-ethylphenyl)ethanamine
PubChem CID115803938
Molecular FormulaC16H16BrF2N
Molecular Weight340.21 g/mol
Exact Mass339.04
IUPAC Name1-(4-bromo-2,6-difluorophenyl)-2-(4-ethylphenyl)ethanamine
SMILESCCc1ccc(CC(N)c2c(F)cc(Br)cc2F)cc1
InChIInChI=1S/C16H16BrF2N/c1-2-10-3-5-11(6-4-10)7-15(20)16-13(18)8-12(17)9-14(16)19/h3-6,8-9,15H,2,7,20H2,1H3
InChIKeyMXIMQMMIQHZWBD-UHFFFAOYSA-N
XLogP4.53
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.21
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-bromo-2,6-difluorophenyl)-2-(5-ethyl-2-pyridinyl)ethanamine
CID 105014806
2-(4-bromophenyl)-1-(2,4,6-trifluorophenyl)ethanamine
CID 43198672
1-(3,5-dibromophenyl)-2-(4-ethylphenyl)ethanamine
CID 107973873
2-(4-bromophenyl)-1-(2,6-difluoro-4-methoxyphenyl)ethanamine
CID 60964951
1-(4-bromo-2,6-difluorophenyl)-2-(furan-3-yl)ethanamine
CID 105030226
2-(4-methylphenyl)-1-(2,4,6-trifluorophenyl)ethanamine
CID 43330154
2-(3-bromo-5-fluorophenyl)-1-(2,4,6-trifluorophenyl)ethanamine
CID 105015725
1-(2-bromo-3-fluorophenyl)-2-(4-ethylphenyl)ethanamine
CID 115803766
2-(4-ethylphenyl)-1-(2,4,6-trimethylphenyl)ethanamine
CID 115803358
2-(4-bromophenyl)-1-(4-fluoro-2,6-dimethylphenyl)ethanamine
CID 106877345
1-(4-bromo-2,6-difluorophenyl)-2-(4-chloro-2-fluorophenyl)ethanamine
CID 105055587
1-(4-bromo-2,6-difluorophenyl)-2-(2,4,6-trimethylphenyl)ethanamine
CID 115829272

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2,6-difluorophenyl)-2-(4-ethylphenyl)ethanamine?
The IUPAC name of 1-(4-bromo-2,6-difluorophenyl)-2-(4-ethylphenyl)ethanamine (CID 115803938) is 1-(4-bromo-2,6-difluorophenyl)-2-(4-ethylphenyl)ethanamine.
What is the SMILES notation for 1-(4-bromo-2,6-difluorophenyl)-2-(4-ethylphenyl)ethanamine?
The canonical SMILES for 1-(4-bromo-2,6-difluorophenyl)-2-(4-ethylphenyl)ethanamine is CCc1ccc(CC(N)c2c(F)cc(Br)cc2F)cc1.
What is the InChIKey of 1-(4-bromo-2,6-difluorophenyl)-2-(4-ethylphenyl)ethanamine?
The InChIKey is MXIMQMMIQHZWBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrF2N/c1-2-10-3-5-11(6-4-10)7-15(20)16-13(18)8-12(17)9-14(16)19/h3-6,8-9,15H,2,7,20H2,1H3.
What are the key properties of 1-(4-bromo-2,6-difluorophenyl)-2-(4-ethylphenyl)ethanamine?
1-(4-bromo-2,6-difluorophenyl)-2-(4-ethylphenyl)ethanamine has a molecular weight of 340.21 g/mol, XLogP of 4.53, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2,6-difluorophenyl)-2-(4-ethylphenyl)ethanamine is sourced from PubChem (CID 115803938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).