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

C16H17BrFN — CID 115843287

IUPAC2-(2-bromo-4-fluorophenyl)-1-(2,3-dimethylphenyl)ethanamine
SMILESCc1cccc(C(N)Cc2ccc(F)cc2Br)c1C
InChIInChI=1S/C16H17BrFN/c1-10-4-3-5-14(11(10)2)16(19)8-12-6-7-13(18)9-15(12)17/h3-7,9,16H,8,19H2,1-2H3
InChIKeyNTFQINIEXXWZDN-UHFFFAOYSA-N
MW322.22 g/mol
LogP4.45
Rot. Bonds3

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

2-(2-bromo-4-fluorophenyl)-1-(2,3-dimethylphenyl)ethanamine (PubChem CID 115843287) has the molecular formula C16H17BrFN and a molecular weight of 322.22 g/mol. Its IUPAC name is 2-(2-bromo-4-fluorophenyl)-1-(2,3-dimethylphenyl)ethanamine.

Molecular Properties

Compound Name2-(2-bromo-4-fluorophenyl)-1-(2,3-dimethylphenyl)ethanamine
PubChem CID115843287
Molecular FormulaC16H17BrFN
Molecular Weight322.22 g/mol
Exact Mass321.05
IUPAC Name2-(2-bromo-4-fluorophenyl)-1-(2,3-dimethylphenyl)ethanamine
SMILESCc1cccc(C(N)Cc2ccc(F)cc2Br)c1C
InChIInChI=1S/C16H17BrFN/c1-10-4-3-5-14(11(10)2)16(19)8-12-6-7-13(18)9-15(12)17/h3-7,9,16H,8,19H2,1-2H3
InChIKeyNTFQINIEXXWZDN-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-(2-bromo-4-fluorophenyl)-1-(2-chloro-3-methylphenyl)ethanamine
CID 115843175
1-(2,3-dimethylphenyl)-2-(5-fluoro-2-methylphenyl)ethanamine
CID 105377287
1-(2-bromo-3-methylphenyl)-2-(2,4-difluorophenyl)ethanamine
CID 107982860
1,2-bis(2-bromo-4-fluorophenyl)ethanamine
CID 115843294
2-(2-bromo-5-fluorophenyl)-1-(2-methylphenyl)ethanamine
CID 62600298
2-(2-bromo-4-fluorophenyl)-1-(3-bromophenyl)ethanamine
CID 55095103
2-(3-bromo-2,6-difluorophenyl)-1-(2,3-dimethylphenyl)ethanamine
CID 106273742
2-bromo-1-[3-chloro-2-(2-methylphenyl)propyl]-4-fluorobenzene
CID 79419241
2-(2-bromo-4-fluorophenyl)-1-(2-chloro-3-methylphenyl)-N-methylethanamine
CID 115843123
1-(2,3-dimethylphenyl)-2-(2,5-dimethylphenyl)ethanamine
CID 62538026
2-(2-chloro-4-fluorophenyl)-1-(2-methylphenyl)ethanamine
CID 55095442
1,2-bis(4-fluoro-2-methylphenyl)ethanamine
CID 114348216

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-fluorophenyl)-1-(2,3-dimethylphenyl)ethanamine?
The IUPAC name of 2-(2-bromo-4-fluorophenyl)-1-(2,3-dimethylphenyl)ethanamine (CID 115843287) is 2-(2-bromo-4-fluorophenyl)-1-(2,3-dimethylphenyl)ethanamine.
What is the SMILES notation for 2-(2-bromo-4-fluorophenyl)-1-(2,3-dimethylphenyl)ethanamine?
The canonical SMILES for 2-(2-bromo-4-fluorophenyl)-1-(2,3-dimethylphenyl)ethanamine is Cc1cccc(C(N)Cc2ccc(F)cc2Br)c1C.
What is the InChIKey of 2-(2-bromo-4-fluorophenyl)-1-(2,3-dimethylphenyl)ethanamine?
The InChIKey is NTFQINIEXXWZDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrFN/c1-10-4-3-5-14(11(10)2)16(19)8-12-6-7-13(18)9-15(12)17/h3-7,9,16H,8,19H2,1-2H3.
What are the key properties of 2-(2-bromo-4-fluorophenyl)-1-(2,3-dimethylphenyl)ethanamine?
2-(2-bromo-4-fluorophenyl)-1-(2,3-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-(2-bromo-4-fluorophenyl)-1-(2,3-dimethylphenyl)ethanamine is sourced from PubChem (CID 115843287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).