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

C16H17BrFN — CID 62539465

IUPAC1-(2-bromo-4-fluorophenyl)-2-(3,4-dimethylphenyl)ethanamine
SMILESCc1ccc(CC(N)c2ccc(F)cc2Br)cc1C
InChIInChI=1S/C16H17BrFN/c1-10-3-4-12(7-11(10)2)8-16(19)14-6-5-13(18)9-15(14)17/h3-7,9,16H,8,19H2,1-2H3
InChIKeySEYZJLXVGRRPPL-UHFFFAOYSA-N
MW322.22 g/mol
LogP4.45
Rot. Bonds3

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

1-(2-bromo-4-fluorophenyl)-2-(3,4-dimethylphenyl)ethanamine (PubChem CID 62539465) has the molecular formula C16H17BrFN and a molecular weight of 322.22 g/mol. Its IUPAC name is 1-(2-bromo-4-fluorophenyl)-2-(3,4-dimethylphenyl)ethanamine.

Molecular Properties

Compound Name1-(2-bromo-4-fluorophenyl)-2-(3,4-dimethylphenyl)ethanamine
PubChem CID62539465
Molecular FormulaC16H17BrFN
Molecular Weight322.22 g/mol
Exact Mass321.05
IUPAC Name1-(2-bromo-4-fluorophenyl)-2-(3,4-dimethylphenyl)ethanamine
SMILESCc1ccc(CC(N)c2ccc(F)cc2Br)cc1C
InChIInChI=1S/C16H17BrFN/c1-10-3-4-12(7-11(10)2)8-16(19)14-6-5-13(18)9-15(14)17/h3-7,9,16H,8,19H2,1-2H3
InChIKeySEYZJLXVGRRPPL-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-4-fluorophenyl)-2-(3-fluoro-4-methoxyphenyl)ethanamine
CID 115829871
1-(2,5-dibromo-4-methylphenyl)-2-(3,4-dimethylphenyl)ethanamine
CID 81473930
1-(4-bromo-3-chloro-2-fluorophenyl)-2-(3,4-dimethylphenyl)ethanamine
CID 106762466
2-(3-bromo-4-fluorophenyl)-1-(4-fluoro-2-methylphenyl)ethanamine
CID 81279482
1-(2-bromo-5-fluorophenyl)-2-(3,4-dimethylphenyl)ethanol
CID 63018417
1,2-bis(2-bromo-4-fluorophenyl)ethanamine
CID 115843294
(1R)-1-(2-bromo-4-fluorophenyl)ethane-1,2-diamine
CID 66517956
(1R)-1-(2-bromo-4-fluorophenyl)ethane-1,2-diamine;hydrochloride
CID 171220747
1-(3,4-dimethylphenyl)-3-(5-fluoro-2-methylphenyl)propan-2-amine
CID 105373859
(1R)-1-(2-bromo-4-fluorophenyl)pentan-1-amine;hydrochloride
CID 171201221
1-(2-bromo-5-methoxyphenyl)-2-(3,4-dimethylphenyl)ethanamine
CID 62538802
2-(3,4-dimethoxyphenyl)-1-(4-fluoro-2-methylphenyl)ethanamine
CID 62790885

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-4-fluorophenyl)-2-(3,4-dimethylphenyl)ethanamine?
The IUPAC name of 1-(2-bromo-4-fluorophenyl)-2-(3,4-dimethylphenyl)ethanamine (CID 62539465) is 1-(2-bromo-4-fluorophenyl)-2-(3,4-dimethylphenyl)ethanamine.
What is the SMILES notation for 1-(2-bromo-4-fluorophenyl)-2-(3,4-dimethylphenyl)ethanamine?
The canonical SMILES for 1-(2-bromo-4-fluorophenyl)-2-(3,4-dimethylphenyl)ethanamine is Cc1ccc(CC(N)c2ccc(F)cc2Br)cc1C.
What is the InChIKey of 1-(2-bromo-4-fluorophenyl)-2-(3,4-dimethylphenyl)ethanamine?
The InChIKey is SEYZJLXVGRRPPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrFN/c1-10-3-4-12(7-11(10)2)8-16(19)14-6-5-13(18)9-15(14)17/h3-7,9,16H,8,19H2,1-2H3.
What are the key properties of 1-(2-bromo-4-fluorophenyl)-2-(3,4-dimethylphenyl)ethanamine?
1-(2-bromo-4-fluorophenyl)-2-(3,4-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-4-fluorophenyl)-2-(3,4-dimethylphenyl)ethanamine is sourced from PubChem (CID 62539465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).