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

C16H17BrFN — CID 115844396

IUPAC2-(4-bromo-2-fluorophenyl)-1-(3,5-dimethylphenyl)ethanamine
SMILESCc1cc(C)cc(C(N)Cc2ccc(Br)cc2F)c1
InChIInChI=1S/C16H17BrFN/c1-10-5-11(2)7-13(6-10)16(19)8-12-3-4-14(17)9-15(12)18/h3-7,9,16H,8,19H2,1-2H3
InChIKeyOBDGLKFNIZNJPX-UHFFFAOYSA-N
MW322.22 g/mol
LogP4.45
Rot. Bonds3

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

2-(4-bromo-2-fluorophenyl)-1-(3,5-dimethylphenyl)ethanamine (PubChem CID 115844396) has the molecular formula C16H17BrFN and a molecular weight of 322.22 g/mol. Its IUPAC name is 2-(4-bromo-2-fluorophenyl)-1-(3,5-dimethylphenyl)ethanamine.

Molecular Properties

Compound Name2-(4-bromo-2-fluorophenyl)-1-(3,5-dimethylphenyl)ethanamine
PubChem CID115844396
Molecular FormulaC16H17BrFN
Molecular Weight322.22 g/mol
Exact Mass321.05
IUPAC Name2-(4-bromo-2-fluorophenyl)-1-(3,5-dimethylphenyl)ethanamine
SMILESCc1cc(C)cc(C(N)Cc2ccc(Br)cc2F)c1
InChIInChI=1S/C16H17BrFN/c1-10-5-11(2)7-13(6-10)16(19)8-12-3-4-14(17)9-15(12)18/h3-7,9,16H,8,19H2,1-2H3
InChIKeyOBDGLKFNIZNJPX-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

2-(4-bromo-2-fluorophenyl)-1-(3-methylphenyl)ethanamine
CID 62602021
2-(2,4-difluorophenyl)-1-(3,5-dimethylphenyl)ethanamine
CID 64559658
2-(5-chloro-2-fluorophenyl)-1-(3,5-dimethylphenyl)ethanamine
CID 103053134
2-(4-bromo-2-fluorophenyl)-1-(3,4-dichlorophenyl)ethanamine
CID 81491392
2-(4-bromo-2-fluorophenyl)-1-(2,6-difluoro-3-methylphenyl)ethanamine
CID 115844753
2-(4-bromo-2-fluorophenyl)-1-(3-fluoro-4-methoxyphenyl)ethanamine
CID 115844728
2-(4-bromo-2-fluorophenyl)-1-(3-bromo-4-methoxyphenyl)ethanamine
CID 115844636
3-[1-amino-2-(4-bromo-2-fluorophenyl)ethyl]-N,N-dimethylaniline
CID 105137133
2-(2-chloro-4-methylphenyl)-1-(3,5-dimethylphenyl)ethanamine
CID 106866944
(2S)-1-(4-bromo-2-fluorophenyl)butan-2-ol
CID 94505320
4-bromo-1-[3-bromo-2-(4-methylphenyl)propyl]-2-fluorobenzene
CID 79436533
2-(3-bromo-2,6-difluorophenyl)-1-(3,5-dimethylphenyl)ethanamine
CID 106274038

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-fluorophenyl)-1-(3,5-dimethylphenyl)ethanamine?
The IUPAC name of 2-(4-bromo-2-fluorophenyl)-1-(3,5-dimethylphenyl)ethanamine (CID 115844396) is 2-(4-bromo-2-fluorophenyl)-1-(3,5-dimethylphenyl)ethanamine.
What is the SMILES notation for 2-(4-bromo-2-fluorophenyl)-1-(3,5-dimethylphenyl)ethanamine?
The canonical SMILES for 2-(4-bromo-2-fluorophenyl)-1-(3,5-dimethylphenyl)ethanamine is Cc1cc(C)cc(C(N)Cc2ccc(Br)cc2F)c1.
What is the InChIKey of 2-(4-bromo-2-fluorophenyl)-1-(3,5-dimethylphenyl)ethanamine?
The InChIKey is OBDGLKFNIZNJPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrFN/c1-10-5-11(2)7-13(6-10)16(19)8-12-3-4-14(17)9-15(12)18/h3-7,9,16H,8,19H2,1-2H3.
What are the key properties of 2-(4-bromo-2-fluorophenyl)-1-(3,5-dimethylphenyl)ethanamine?
2-(4-bromo-2-fluorophenyl)-1-(3,5-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 2-(4-bromo-2-fluorophenyl)-1-(3,5-dimethylphenyl)ethanamine is sourced from PubChem (CID 115844396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).