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

C16H15BrClF2N — CID 107946591

IUPACN-[(3-bromo-5-chlorophenyl)-(2,6-difluoro-3-methylphenyl)methyl]ethanamine
SMILESCCNC(c1cc(Cl)cc(Br)c1)c1c(F)ccc(C)c1F
InChIInChI=1S/C16H15BrClF2N/c1-3-21-16(10-6-11(17)8-12(18)7-10)14-13(19)5-4-9(2)15(14)20/h4-8,16,21H,3H2,1-2H3
InChIKeyYEPVSZJDBGCKKV-UHFFFAOYSA-N
MW374.66 g/mol
LogP5.39
Rot. Bonds4

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

N-[(3-bromo-5-chlorophenyl)-(2,6-difluoro-3-methylphenyl)methyl]ethanamine (PubChem CID 107946591) has the molecular formula C16H15BrClF2N and a molecular weight of 374.66 g/mol. Its IUPAC name is N-[(3-bromo-5-chlorophenyl)-(2,6-difluoro-3-methylphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(3-bromo-5-chlorophenyl)-(2,6-difluoro-3-methylphenyl)methyl]ethanamine
PubChem CID107946591
Molecular FormulaC16H15BrClF2N
Molecular Weight374.66 g/mol
Exact Mass373.00
IUPAC NameN-[(3-bromo-5-chlorophenyl)-(2,6-difluoro-3-methylphenyl)methyl]ethanamine
SMILESCCNC(c1cc(Cl)cc(Br)c1)c1c(F)ccc(C)c1F
InChIInChI=1S/C16H15BrClF2N/c1-3-21-16(10-6-11(17)8-12(18)7-10)14-13(19)5-4-9(2)15(14)20/h4-8,16,21H,3H2,1-2H3
InChIKeyYEPVSZJDBGCKKV-UHFFFAOYSA-N
XLogP5.39
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.66
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(3-bromo-5-chlorophenyl)-(2,6-difluorophenyl)methyl]ethanamine
CID 107945874
N-[(3-bromophenyl)-(2,6-difluoro-3-methylphenyl)methyl]ethanamine
CID 82823036
N-[(2,6-difluoro-3-methylphenyl)-(3,5-dimethylphenyl)methyl]ethanamine
CID 115796796
N-[(3-bromo-2,6-difluorophenyl)-(4-chlorophenyl)methyl]ethanamine
CID 106942191
N-[(2,6-difluoro-3-methylphenyl)-pyridin-4-ylmethyl]ethanamine
CID 82822617
N-[(3-bromo-5-chlorophenyl)-(4-chloro-2,5-dimethylphenyl)methyl]ethanamine
CID 107950635
N-[(3-bromo-5-chlorophenyl)-(cyclopenten-1-yl)methyl]ethanamine
CID 107950541
N-[(3,5-dichlorophenyl)-(4-fluoro-3,5-dimethylphenyl)methyl]ethanamine
CID 65299159
N-[(5-bromo-3-pyridinyl)-(2,6-difluoro-3-methylphenyl)methyl]propan-1-amine
CID 82802947
N-[(3-bromo-5-chlorophenyl)-(4-propylphenyl)methyl]ethanamine
CID 107945725
[(3-bromo-5-methylphenyl)-(2,6-difluoro-3-methylphenyl)methyl]hydrazine
CID 105330192
[(3-bromo-5-chlorophenyl)-(4-fluoro-3-methylphenyl)methyl]hydrazine
CID 107948189

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromo-5-chlorophenyl)-(2,6-difluoro-3-methylphenyl)methyl]ethanamine?
The IUPAC name of N-[(3-bromo-5-chlorophenyl)-(2,6-difluoro-3-methylphenyl)methyl]ethanamine (CID 107946591) is N-[(3-bromo-5-chlorophenyl)-(2,6-difluoro-3-methylphenyl)methyl]ethanamine.
What is the SMILES notation for N-[(3-bromo-5-chlorophenyl)-(2,6-difluoro-3-methylphenyl)methyl]ethanamine?
The canonical SMILES for N-[(3-bromo-5-chlorophenyl)-(2,6-difluoro-3-methylphenyl)methyl]ethanamine is CCNC(c1cc(Cl)cc(Br)c1)c1c(F)ccc(C)c1F.
What is the InChIKey of N-[(3-bromo-5-chlorophenyl)-(2,6-difluoro-3-methylphenyl)methyl]ethanamine?
The InChIKey is YEPVSZJDBGCKKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrClF2N/c1-3-21-16(10-6-11(17)8-12(18)7-10)14-13(19)5-4-9(2)15(14)20/h4-8,16,21H,3H2,1-2H3.
What are the key properties of N-[(3-bromo-5-chlorophenyl)-(2,6-difluoro-3-methylphenyl)methyl]ethanamine?
N-[(3-bromo-5-chlorophenyl)-(2,6-difluoro-3-methylphenyl)methyl]ethanamine has a molecular weight of 374.66 g/mol, XLogP of 5.39, 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-difluoro-3-methylphenyl)methyl]ethanamine is sourced from PubChem (CID 107946591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).