N-[[4-(3-bromo-2,6-difluorophenyl)phenyl]methyl]ethanamine

C15H14BrF2N — CID 106943271

IUPACN-[[4-(3-bromo-2,6-difluorophenyl)phenyl]methyl]ethanamine
SMILESCCNCc1ccc(-c2c(F)ccc(Br)c2F)cc1
InChIInChI=1S/C15H14BrF2N/c1-2-19-9-10-3-5-11(6-4-10)14-13(17)8-7-12(16)15(14)18/h3-8,19H,2,9H2,1H3
InChIKeyYBZOVLQPWALGNO-UHFFFAOYSA-N
MW326.18 g/mol
LogP4.50
Rot. Bonds4

About N-[[4-(3-bromo-2,6-difluorophenyl)phenyl]methyl]ethanamine

N-[[4-(3-bromo-2,6-difluorophenyl)phenyl]methyl]ethanamine (PubChem CID 106943271) has the molecular formula C15H14BrF2N and a molecular weight of 326.18 g/mol. Its IUPAC name is N-[[4-(3-bromo-2,6-difluorophenyl)phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[4-(3-bromo-2,6-difluorophenyl)phenyl]methyl]ethanamine
PubChem CID106943271
Molecular FormulaC15H14BrF2N
Molecular Weight326.18 g/mol
Exact Mass325.03
IUPAC NameN-[[4-(3-bromo-2,6-difluorophenyl)phenyl]methyl]ethanamine
SMILESCCNCc1ccc(-c2c(F)ccc(Br)c2F)cc1
InChIInChI=1S/C15H14BrF2N/c1-2-19-9-10-3-5-11(6-4-10)14-13(17)8-7-12(16)15(14)18/h3-8,19H,2,9H2,1H3
InChIKeyYBZOVLQPWALGNO-UHFFFAOYSA-N
XLogP4.50
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.18
LogP ≤ 54.50
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

N-[(4-methylphenyl)methyl]ethanamine
CID 4716476
N-[(4-fluorophenyl)methyl]ethanamine
CID 4716481
N-[[4-(2,4,5-trifluorophenyl)phenyl]methyl]ethanamine
CID 115503166
N-[[4-(3-fluoro-2-methylphenyl)phenyl]methyl]ethanamine
CID 115502833
N-[(3,4-difluorophenyl)methyl]ethanamine
CID 24690340
N-[(3,4-dibromophenyl)methyl]ethanamine
CID 115692981
N'-[(3-bromo-4-fluorophenyl)methyl]-N-ethylethane-1,2-diamine
CID 107951053
N-[[3-(3,4-difluorophenyl)-4-fluorophenyl]methyl]ethanamine
CID 61033140
N-[[4-(4-propylphenyl)phenyl]methyl]ethanamine
CID 63424945
N-[(3-bromo-4-methylphenyl)methyl]ethanamine
CID 81471854
N-[[4-(chloromethyl)phenyl]methyl]ethanamine
CID 107232930
N-[[4-(5-bromo-2-fluorophenyl)-3-methylphenyl]methyl]ethanamine
CID 79742796

Frequently Asked Questions

What is the IUPAC name of N-[[4-(3-bromo-2,6-difluorophenyl)phenyl]methyl]ethanamine?
The IUPAC name of N-[[4-(3-bromo-2,6-difluorophenyl)phenyl]methyl]ethanamine (CID 106943271) is N-[[4-(3-bromo-2,6-difluorophenyl)phenyl]methyl]ethanamine.
What is the SMILES notation for N-[[4-(3-bromo-2,6-difluorophenyl)phenyl]methyl]ethanamine?
The canonical SMILES for N-[[4-(3-bromo-2,6-difluorophenyl)phenyl]methyl]ethanamine is CCNCc1ccc(-c2c(F)ccc(Br)c2F)cc1.
What is the InChIKey of N-[[4-(3-bromo-2,6-difluorophenyl)phenyl]methyl]ethanamine?
The InChIKey is YBZOVLQPWALGNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrF2N/c1-2-19-9-10-3-5-11(6-4-10)14-13(17)8-7-12(16)15(14)18/h3-8,19H,2,9H2,1H3.
What are the key properties of N-[[4-(3-bromo-2,6-difluorophenyl)phenyl]methyl]ethanamine?
N-[[4-(3-bromo-2,6-difluorophenyl)phenyl]methyl]ethanamine has a molecular weight of 326.18 g/mol, XLogP of 4.50, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(3-bromo-2,6-difluorophenyl)phenyl]methyl]ethanamine is sourced from PubChem (CID 106943271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).