1-(2-bromo-3-methylphenyl)-2-(2,4-difluorophenyl)ethanamine

C15H14BrF2N — CID 107982860

IUPAC1-(2-bromo-3-methylphenyl)-2-(2,4-difluorophenyl)ethanamine
SMILESCc1cccc(C(N)Cc2ccc(F)cc2F)c1Br
InChIInChI=1S/C15H14BrF2N/c1-9-3-2-4-12(15(9)16)14(19)7-10-5-6-11(17)8-13(10)18/h2-6,8,14H,7,19H2,1H3
InChIKeyGCLHCBQAMKKVSL-UHFFFAOYSA-N
MW326.18 g/mol
LogP4.28
Rot. Bonds3

About 1-(2-bromo-3-methylphenyl)-2-(2,4-difluorophenyl)ethanamine

1-(2-bromo-3-methylphenyl)-2-(2,4-difluorophenyl)ethanamine (PubChem CID 107982860) has the molecular formula C15H14BrF2N and a molecular weight of 326.18 g/mol. Its IUPAC name is 1-(2-bromo-3-methylphenyl)-2-(2,4-difluorophenyl)ethanamine.

Molecular Properties

Compound Name1-(2-bromo-3-methylphenyl)-2-(2,4-difluorophenyl)ethanamine
PubChem CID107982860
Molecular FormulaC15H14BrF2N
Molecular Weight326.18 g/mol
Exact Mass325.03
IUPAC Name1-(2-bromo-3-methylphenyl)-2-(2,4-difluorophenyl)ethanamine
SMILESCc1cccc(C(N)Cc2ccc(F)cc2F)c1Br
InChIInChI=1S/C15H14BrF2N/c1-9-3-2-4-12(15(9)16)14(19)7-10-5-6-11(17)8-13(10)18/h2-6,8,14H,7,19H2,1H3
InChIKeyGCLHCBQAMKKVSL-UHFFFAOYSA-N
XLogP4.28
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.18
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-bromo-3-methylphenyl)-2-(2,4-difluorophenyl)ethanol
CID 107983845
1-(2-bromo-3-methylphenyl)-2-(5-chloro-2-fluorophenyl)ethanamine
CID 107985554
2-(2-bromo-4-fluorophenyl)-1-(2,3-dimethylphenyl)ethanamine
CID 115843287
2-(2-bromo-4-fluorophenyl)-1-(2-chloro-3-methylphenyl)ethanamine
CID 115843175
2-(2-bromo-5-fluorophenyl)-1-(2-methylphenyl)ethanamine
CID 62600298
1-(2-bromo-5-methylphenyl)-2-(2,4-difluorophenyl)ethanamine
CID 81111888
1-[1-chloro-2-(2,4-difluorophenyl)ethyl]-2-fluoro-3-methylbenzene
CID 81479380
1-(2,3-dimethylphenyl)-2-(5-fluoro-2-methylphenyl)ethanamine
CID 105377287
1-(4-bromo-2-fluorophenyl)-2-(4-fluoro-2-methylphenyl)ethanamine
CID 114906223
3-(2,4-difluorophenyl)-2-(2-methylphenyl)propan-1-amine
CID 79421165
2-(2-chloro-4-fluorophenyl)-1-(2-methylphenyl)ethanamine
CID 55095442
2-(5-bromo-2-methoxyphenyl)-1-(2-bromo-3-methylphenyl)ethanamine
CID 107984787

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-3-methylphenyl)-2-(2,4-difluorophenyl)ethanamine?
The IUPAC name of 1-(2-bromo-3-methylphenyl)-2-(2,4-difluorophenyl)ethanamine (CID 107982860) is 1-(2-bromo-3-methylphenyl)-2-(2,4-difluorophenyl)ethanamine.
What is the SMILES notation for 1-(2-bromo-3-methylphenyl)-2-(2,4-difluorophenyl)ethanamine?
The canonical SMILES for 1-(2-bromo-3-methylphenyl)-2-(2,4-difluorophenyl)ethanamine is Cc1cccc(C(N)Cc2ccc(F)cc2F)c1Br.
What is the InChIKey of 1-(2-bromo-3-methylphenyl)-2-(2,4-difluorophenyl)ethanamine?
The InChIKey is GCLHCBQAMKKVSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrF2N/c1-9-3-2-4-12(15(9)16)14(19)7-10-5-6-11(17)8-13(10)18/h2-6,8,14H,7,19H2,1H3.
What are the key properties of 1-(2-bromo-3-methylphenyl)-2-(2,4-difluorophenyl)ethanamine?
1-(2-bromo-3-methylphenyl)-2-(2,4-difluorophenyl)ethanamine has a molecular weight of 326.18 g/mol, XLogP of 4.28, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-3-methylphenyl)-2-(2,4-difluorophenyl)ethanamine is sourced from PubChem (CID 107982860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).