N-[(3-bromo-5-chlorophenyl)-(2,6-difluorophenyl)methyl]ethanamine

C15H13BrClF2N — CID 107945874

IUPACN-[(3-bromo-5-chlorophenyl)-(2,6-difluorophenyl)methyl]ethanamine
SMILESCCNC(c1cc(Cl)cc(Br)c1)c1c(F)cccc1F
InChIInChI=1S/C15H13BrClF2N/c1-2-20-15(9-6-10(16)8-11(17)7-9)14-12(18)4-3-5-13(14)19/h3-8,15,20H,2H2,1H3
InChIKeyQIDALYNDVIOBID-UHFFFAOYSA-N
MW360.63 g/mol
LogP5.08
Rot. Bonds4

About N-[(3-bromo-5-chlorophenyl)-(2,6-difluorophenyl)methyl]ethanamine

N-[(3-bromo-5-chlorophenyl)-(2,6-difluorophenyl)methyl]ethanamine (PubChem CID 107945874) has the molecular formula C15H13BrClF2N and a molecular weight of 360.63 g/mol. Its IUPAC name is N-[(3-bromo-5-chlorophenyl)-(2,6-difluorophenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(3-bromo-5-chlorophenyl)-(2,6-difluorophenyl)methyl]ethanamine
PubChem CID107945874
Molecular FormulaC15H13BrClF2N
Molecular Weight360.63 g/mol
Exact Mass358.99
IUPAC NameN-[(3-bromo-5-chlorophenyl)-(2,6-difluorophenyl)methyl]ethanamine
SMILESCCNC(c1cc(Cl)cc(Br)c1)c1c(F)cccc1F
InChIInChI=1S/C15H13BrClF2N/c1-2-20-15(9-6-10(16)8-11(17)7-9)14-12(18)4-3-5-13(14)19/h3-8,15,20H,2H2,1H3
InChIKeyQIDALYNDVIOBID-UHFFFAOYSA-N
XLogP5.08
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.63
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(3-bromo-5-chlorophenyl)-(2,6-difluoro-3-methylphenyl)methyl]ethanamine
CID 107946591
[(3-bromo-5-chlorophenyl)-(2,6-difluorophenyl)methyl]hydrazine
CID 107948244
N-[(3,5-dichlorophenyl)-(2,6-difluorophenyl)methyl]propan-1-amine
CID 115859906
N-[(2,6-difluorophenyl)-(3,5-dimethylphenyl)methyl]ethanamine
CID 79522408
N-[(3-bromo-4-fluorophenyl)-(2-chloro-6-fluorophenyl)methyl]ethanamine
CID 79747189
N-[(4-bromo-5-chloro-2-fluorophenyl)-(2,6-difluorophenyl)methyl]ethanamine
CID 105399065
N-[(3-bromophenyl)-(2,6-difluoro-3-methylphenyl)methyl]ethanamine
CID 82823036
N-[(3-bromo-5-chlorophenyl)-(3-ethoxyphenyl)methyl]ethanamine
CID 107946517
N-[(2-chloro-6-fluorophenyl)-(3,5-dimethylphenyl)methyl]ethanamine
CID 115796556
N-[(3-bromo-5-chlorophenyl)-(4-propylphenyl)methyl]ethanamine
CID 107945725
N-[(2-chloro-3-fluorophenyl)-(2,6-difluorophenyl)methyl]ethanamine
CID 115859759
(3-bromo-5-chlorophenyl)-(2,6-difluorophenyl)methanol
CID 114019455

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromo-5-chlorophenyl)-(2,6-difluorophenyl)methyl]ethanamine?
The IUPAC name of N-[(3-bromo-5-chlorophenyl)-(2,6-difluorophenyl)methyl]ethanamine (CID 107945874) is N-[(3-bromo-5-chlorophenyl)-(2,6-difluorophenyl)methyl]ethanamine.
What is the SMILES notation for N-[(3-bromo-5-chlorophenyl)-(2,6-difluorophenyl)methyl]ethanamine?
The canonical SMILES for N-[(3-bromo-5-chlorophenyl)-(2,6-difluorophenyl)methyl]ethanamine is CCNC(c1cc(Cl)cc(Br)c1)c1c(F)cccc1F.
What is the InChIKey of N-[(3-bromo-5-chlorophenyl)-(2,6-difluorophenyl)methyl]ethanamine?
The InChIKey is QIDALYNDVIOBID-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrClF2N/c1-2-20-15(9-6-10(16)8-11(17)7-9)14-12(18)4-3-5-13(14)19/h3-8,15,20H,2H2,1H3.
What are the key properties of N-[(3-bromo-5-chlorophenyl)-(2,6-difluorophenyl)methyl]ethanamine?
N-[(3-bromo-5-chlorophenyl)-(2,6-difluorophenyl)methyl]ethanamine has a molecular weight of 360.63 g/mol, XLogP of 5.08, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromo-5-chlorophenyl)-(2,6-difluorophenyl)methyl]ethanamine is sourced from PubChem (CID 107945874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).