1-(3-bromo-2,6-difluorophenyl)-2-(2-methylphenyl)ethanamine

C15H14BrF2N — CID 106942346

IUPAC1-(3-bromo-2,6-difluorophenyl)-2-(2-methylphenyl)ethanamine
SMILESCc1ccccc1CC(N)c1c(F)ccc(Br)c1F
InChIInChI=1S/C15H14BrF2N/c1-9-4-2-3-5-10(9)8-13(19)14-12(17)7-6-11(16)15(14)18/h2-7,13H,8,19H2,1H3
InChIKeyDDBKVRBHGUZRQS-UHFFFAOYSA-N
MW326.18 g/mol
LogP4.28
Rot. Bonds3

About 1-(3-bromo-2,6-difluorophenyl)-2-(2-methylphenyl)ethanamine

1-(3-bromo-2,6-difluorophenyl)-2-(2-methylphenyl)ethanamine (PubChem CID 106942346) has the molecular formula C15H14BrF2N and a molecular weight of 326.18 g/mol. Its IUPAC name is 1-(3-bromo-2,6-difluorophenyl)-2-(2-methylphenyl)ethanamine.

Molecular Properties

Compound Name1-(3-bromo-2,6-difluorophenyl)-2-(2-methylphenyl)ethanamine
PubChem CID106942346
Molecular FormulaC15H14BrF2N
Molecular Weight326.18 g/mol
Exact Mass325.03
IUPAC Name1-(3-bromo-2,6-difluorophenyl)-2-(2-methylphenyl)ethanamine
SMILESCc1ccccc1CC(N)c1c(F)ccc(Br)c1F
InChIInChI=1S/C15H14BrF2N/c1-9-4-2-3-5-10(9)8-13(19)14-12(17)7-6-11(16)15(14)18/h2-7,13H,8,19H2,1H3
InChIKeyDDBKVRBHGUZRQS-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

1-(2,6-difluorophenyl)-2-(2-methylphenyl)ethanamine
CID 61078898
2-(2-bromo-5-fluorophenyl)-1-(2-methylphenyl)ethanamine
CID 62600298
(1S)-1-(3-bromo-2,6-difluorophenyl)propan-1-amine;hydrochloride
CID 171224706
1-(3-bromo-2,6-difluorophenyl)pentan-1-amine
CID 103947002
2-(5-bromo-2-fluorophenyl)-1-(2,6-difluoro-3-methylphenyl)ethanamine
CID 115839770
2-(4-bromo-2-fluorophenyl)-1-(2,6-difluoro-3-methylphenyl)ethanamine
CID 115844753
1-(2,6-difluoro-3-methylphenyl)-2-(4-fluoro-2-methylphenyl)ethanamine
CID 105051267
(1R)-1-(3-bromo-2,6-difluorophenyl)-4-methylpentan-1-amine
CID 171205160
1-(2,5-dibromophenyl)-2-(2-methylphenyl)ethanamine
CID 43109344
1-(3-bromo-2,6-difluorophenyl)-2-phenoxyethanamine
CID 106942398
1-(3-bromo-2,6-difluorophenyl)-2-(3-chlorophenyl)ethanamine
CID 106942201
2-(2-bromo-5-fluorophenyl)-1-(2,4,6-trifluorophenyl)ethanamine
CID 115843812

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-2,6-difluorophenyl)-2-(2-methylphenyl)ethanamine?
The IUPAC name of 1-(3-bromo-2,6-difluorophenyl)-2-(2-methylphenyl)ethanamine (CID 106942346) is 1-(3-bromo-2,6-difluorophenyl)-2-(2-methylphenyl)ethanamine.
What is the SMILES notation for 1-(3-bromo-2,6-difluorophenyl)-2-(2-methylphenyl)ethanamine?
The canonical SMILES for 1-(3-bromo-2,6-difluorophenyl)-2-(2-methylphenyl)ethanamine is Cc1ccccc1CC(N)c1c(F)ccc(Br)c1F.
What is the InChIKey of 1-(3-bromo-2,6-difluorophenyl)-2-(2-methylphenyl)ethanamine?
The InChIKey is DDBKVRBHGUZRQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrF2N/c1-9-4-2-3-5-10(9)8-13(19)14-12(17)7-6-11(16)15(14)18/h2-7,13H,8,19H2,1H3.
What are the key properties of 1-(3-bromo-2,6-difluorophenyl)-2-(2-methylphenyl)ethanamine?
1-(3-bromo-2,6-difluorophenyl)-2-(2-methylphenyl)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-(3-bromo-2,6-difluorophenyl)-2-(2-methylphenyl)ethanamine is sourced from PubChem (CID 106942346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).