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

C16H17BrFN — CID 105015396

IUPAC2-(3-bromo-5-fluorophenyl)-1-(3,5-dimethylphenyl)ethanamine
SMILESCc1cc(C)cc(C(N)Cc2cc(F)cc(Br)c2)c1
InChIInChI=1S/C16H17BrFN/c1-10-3-11(2)5-13(4-10)16(19)8-12-6-14(17)9-15(18)7-12/h3-7,9,16H,8,19H2,1-2H3
InChIKeyHSPYLHNKPFTAQO-UHFFFAOYSA-N
MW322.22 g/mol
LogP4.45
Rot. Bonds3

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

2-(3-bromo-5-fluorophenyl)-1-(3,5-dimethylphenyl)ethanamine (PubChem CID 105015396) has the molecular formula C16H17BrFN and a molecular weight of 322.22 g/mol. Its IUPAC name is 2-(3-bromo-5-fluorophenyl)-1-(3,5-dimethylphenyl)ethanamine.

Molecular Properties

Compound Name2-(3-bromo-5-fluorophenyl)-1-(3,5-dimethylphenyl)ethanamine
PubChem CID105015396
Molecular FormulaC16H17BrFN
Molecular Weight322.22 g/mol
Exact Mass321.05
IUPAC Name2-(3-bromo-5-fluorophenyl)-1-(3,5-dimethylphenyl)ethanamine
SMILESCc1cc(C)cc(C(N)Cc2cc(F)cc(Br)c2)c1
InChIInChI=1S/C16H17BrFN/c1-10-3-11(2)5-13(4-10)16(19)8-12-6-14(17)9-15(18)7-12/h3-7,9,16H,8,19H2,1-2H3
InChIKeyHSPYLHNKPFTAQO-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-(3-bromo-5-methylphenyl)-2-(4-fluorophenyl)ethanamine
CID 104853137
1,2-bis(3,5-dimethylphenyl)ethanamine
CID 55096005
2-(3-bromo-5-fluorophenyl)-1-(2,4,6-trifluorophenyl)ethanamine
CID 105015725
2-(3-bromo-5-fluorophenyl)-1-(furan-3-yl)ethanamine
CID 79709295
2-(3-bromo-5-fluorophenyl)-1-(5-bromo-2-methylphenyl)ethanamine
CID 105015800
2-(3-bromo-5-fluorophenyl)-1-(1-methylpyrazol-4-yl)ethanamine
CID 79709215
2-(3-bromo-5-fluorophenyl)-1-naphthalen-2-ylethanamine
CID 79699816
1-(3-bromo-5-fluorophenyl)-2-(5-bromo-3-pyridinyl)ethanamine
CID 104802830
2-(3,5-difluorophenyl)-1-(2,6-dimethyl-4-pyridinyl)ethanamine
CID 107503055
2-(4-bromo-2-fluorophenyl)-1-(3,5-dimethylphenyl)ethanamine
CID 115844396
2-(3-bromo-5-fluorophenyl)-1-(3-methylsulfonylphenyl)ethanamine
CID 105015570
1-(3-bromo-5-methylphenyl)-2-(4-chloro-3-fluorophenyl)ethanamine
CID 107891519

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-5-fluorophenyl)-1-(3,5-dimethylphenyl)ethanamine?
The IUPAC name of 2-(3-bromo-5-fluorophenyl)-1-(3,5-dimethylphenyl)ethanamine (CID 105015396) is 2-(3-bromo-5-fluorophenyl)-1-(3,5-dimethylphenyl)ethanamine.
What is the SMILES notation for 2-(3-bromo-5-fluorophenyl)-1-(3,5-dimethylphenyl)ethanamine?
The canonical SMILES for 2-(3-bromo-5-fluorophenyl)-1-(3,5-dimethylphenyl)ethanamine is Cc1cc(C)cc(C(N)Cc2cc(F)cc(Br)c2)c1.
What is the InChIKey of 2-(3-bromo-5-fluorophenyl)-1-(3,5-dimethylphenyl)ethanamine?
The InChIKey is HSPYLHNKPFTAQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrFN/c1-10-3-11(2)5-13(4-10)16(19)8-12-6-14(17)9-15(18)7-12/h3-7,9,16H,8,19H2,1-2H3.
What are the key properties of 2-(3-bromo-5-fluorophenyl)-1-(3,5-dimethylphenyl)ethanamine?
2-(3-bromo-5-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-(3-bromo-5-fluorophenyl)-1-(3,5-dimethylphenyl)ethanamine is sourced from PubChem (CID 105015396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).