N-[(5-bromo-2-methylphenyl)-(2,4,6-trifluorophenyl)methyl]ethanamine

C16H15BrF3N — CID 65308089

IUPACN-[(5-bromo-2-methylphenyl)-(2,4,6-trifluorophenyl)methyl]ethanamine
SMILESCCNC(c1cc(Br)ccc1C)c1c(F)cc(F)cc1F
InChIInChI=1S/C16H15BrF3N/c1-3-21-16(12-6-10(17)5-4-9(12)2)15-13(19)7-11(18)8-14(15)20/h4-8,16,21H,3H2,1-2H3
InChIKeyQRIQAODLFKQLSM-UHFFFAOYSA-N
MW358.20 g/mol
LogP4.87
Rot. Bonds4

About N-[(5-bromo-2-methylphenyl)-(2,4,6-trifluorophenyl)methyl]ethanamine

N-[(5-bromo-2-methylphenyl)-(2,4,6-trifluorophenyl)methyl]ethanamine (PubChem CID 65308089) has the molecular formula C16H15BrF3N and a molecular weight of 358.20 g/mol. Its IUPAC name is N-[(5-bromo-2-methylphenyl)-(2,4,6-trifluorophenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(5-bromo-2-methylphenyl)-(2,4,6-trifluorophenyl)methyl]ethanamine
PubChem CID65308089
Molecular FormulaC16H15BrF3N
Molecular Weight358.20 g/mol
Exact Mass357.03
IUPAC NameN-[(5-bromo-2-methylphenyl)-(2,4,6-trifluorophenyl)methyl]ethanamine
SMILESCCNC(c1cc(Br)ccc1C)c1c(F)cc(F)cc1F
InChIInChI=1S/C16H15BrF3N/c1-3-21-16(12-6-10(17)5-4-9(12)2)15-13(19)7-11(18)8-14(15)20/h4-8,16,21H,3H2,1-2H3
InChIKeyQRIQAODLFKQLSM-UHFFFAOYSA-N
XLogP4.87
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.20
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(2,5-dibromophenyl)-(2,4,6-trifluorophenyl)methyl]ethanamine
CID 65101679
N-[(5-bromo-2-methylphenyl)-(2,4,6-trimethylphenyl)methyl]ethanamine
CID 65308141
N-[(5-bromo-2-methylphenyl)-(2-fluorophenyl)methyl]ethanamine
CID 115827865
N-[(5-bromo-2-methylphenyl)-(4-fluoro-2-methylphenyl)methyl]ethanamine
CID 115852352
N-[(5-bromo-2-chlorophenyl)-(4-fluoro-2,6-dimethylphenyl)methyl]ethanamine
CID 106878329
N-[(4-bromo-2-methylphenyl)-(2,6-difluorophenyl)methyl]ethanamine
CID 115859674
N-[(2-bromo-3-fluorophenyl)-(2,4,6-trifluorophenyl)methyl]ethanamine
CID 81499504
N-[(5-bromo-2-fluorophenyl)-(2,5-difluorophenyl)methyl]ethanamine
CID 43490176
N-[(2,4-dibromophenyl)-(2,6-difluorophenyl)methyl]ethanamine
CID 107945869
N-[(5-chloro-2-methylphenyl)-(2,6-difluorophenyl)methyl]ethanamine
CID 115859932
N-[(5-bromo-2-fluorophenyl)-(5-fluoro-2-methylphenyl)methyl]propan-1-amine
CID 79723126
N-[(2-bromo-5-fluorophenyl)-(5-fluoro-2-methylphenyl)methyl]ethanamine
CID 115851922

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-methylphenyl)-(2,4,6-trifluorophenyl)methyl]ethanamine?
The IUPAC name of N-[(5-bromo-2-methylphenyl)-(2,4,6-trifluorophenyl)methyl]ethanamine (CID 65308089) is N-[(5-bromo-2-methylphenyl)-(2,4,6-trifluorophenyl)methyl]ethanamine.
What is the SMILES notation for N-[(5-bromo-2-methylphenyl)-(2,4,6-trifluorophenyl)methyl]ethanamine?
The canonical SMILES for N-[(5-bromo-2-methylphenyl)-(2,4,6-trifluorophenyl)methyl]ethanamine is CCNC(c1cc(Br)ccc1C)c1c(F)cc(F)cc1F.
What is the InChIKey of N-[(5-bromo-2-methylphenyl)-(2,4,6-trifluorophenyl)methyl]ethanamine?
The InChIKey is QRIQAODLFKQLSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrF3N/c1-3-21-16(12-6-10(17)5-4-9(12)2)15-13(19)7-11(18)8-14(15)20/h4-8,16,21H,3H2,1-2H3.
What are the key properties of N-[(5-bromo-2-methylphenyl)-(2,4,6-trifluorophenyl)methyl]ethanamine?
N-[(5-bromo-2-methylphenyl)-(2,4,6-trifluorophenyl)methyl]ethanamine has a molecular weight of 358.20 g/mol, XLogP of 4.87, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-2-methylphenyl)-(2,4,6-trifluorophenyl)methyl]ethanamine is sourced from PubChem (CID 65308089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).