N-[(2-bromo-5-fluorophenyl)-(2,5-dibromo-4-methylphenyl)methyl]ethanamine

C16H15Br3FN — CID 81472919

IUPACN-[(2-bromo-5-fluorophenyl)-(2,5-dibromo-4-methylphenyl)methyl]ethanamine
SMILESCCNC(c1cc(F)ccc1Br)c1cc(Br)c(C)cc1Br
InChIInChI=1S/C16H15Br3FN/c1-3-21-16(11-7-10(20)4-5-13(11)17)12-8-14(18)9(2)6-15(12)19/h4-8,16,21H,3H2,1-2H3
InChIKeyQEAUSSNVHQZFPM-UHFFFAOYSA-N
MW480.01 g/mol
LogP6.12
Rot. Bonds4

About N-[(2-bromo-5-fluorophenyl)-(2,5-dibromo-4-methylphenyl)methyl]ethanamine

N-[(2-bromo-5-fluorophenyl)-(2,5-dibromo-4-methylphenyl)methyl]ethanamine (PubChem CID 81472919) has the molecular formula C16H15Br3FN and a molecular weight of 480.01 g/mol. Its IUPAC name is N-[(2-bromo-5-fluorophenyl)-(2,5-dibromo-4-methylphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2-bromo-5-fluorophenyl)-(2,5-dibromo-4-methylphenyl)methyl]ethanamine
PubChem CID81472919
Molecular FormulaC16H15Br3FN
Molecular Weight480.01 g/mol
Exact Mass476.87
IUPAC NameN-[(2-bromo-5-fluorophenyl)-(2,5-dibromo-4-methylphenyl)methyl]ethanamine
SMILESCCNC(c1cc(F)ccc1Br)c1cc(Br)c(C)cc1Br
InChIInChI=1S/C16H15Br3FN/c1-3-21-16(11-7-10(20)4-5-13(11)17)12-8-14(18)9(2)6-15(12)19/h4-8,16,21H,3H2,1-2H3
InChIKeyQEAUSSNVHQZFPM-UHFFFAOYSA-N
XLogP6.12
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.01
LogP ≤ 56.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(2-bromo-5-fluorophenyl)-(5-fluoro-2-methylphenyl)methyl]ethanamine
CID 115851922
N-[(2,5-dibromo-4-methylphenyl)-(2-fluorophenyl)methyl]ethanamine
CID 81472787
N-[(2-bromo-5-fluorophenyl)-(2,3,4-trifluorophenyl)methyl]ethanamine
CID 115855214
N-[(2-bromo-5-fluorophenyl)-(2-chloro-4,5-difluorophenyl)methyl]ethanamine
CID 107476519
N-[(2-bromo-4-methylphenyl)-(5-fluoro-2-methylphenyl)methyl]ethanamine
CID 115851889
N-[(2-bromo-5-fluorophenyl)-(4-chloro-2-fluorophenyl)methyl]ethanamine
CID 105022583
N-[(2-bromo-5-fluorophenyl)-(3-chloro-4-methylphenyl)methyl]ethanamine
CID 107562122
N-[(2-bromo-4-chlorophenyl)-(5-fluoro-2-methylphenyl)methyl]ethanamine
CID 107992961
N-[(2-bromo-4-fluorophenyl)-(2,4-difluoro-5-methylphenyl)methyl]ethanamine
CID 79726735
N-[(2,5-dibromo-4-methylphenyl)-(4-iodophenyl)methyl]ethanamine
CID 81473949
N-[(2-bromo-5-fluorophenyl)-(4-methoxyphenyl)methyl]ethanamine
CID 43489240
N-[(2-bromo-5-fluorophenyl)-(1-ethylpyrazol-4-yl)methyl]ethanamine
CID 115815982

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromo-5-fluorophenyl)-(2,5-dibromo-4-methylphenyl)methyl]ethanamine?
The IUPAC name of N-[(2-bromo-5-fluorophenyl)-(2,5-dibromo-4-methylphenyl)methyl]ethanamine (CID 81472919) is N-[(2-bromo-5-fluorophenyl)-(2,5-dibromo-4-methylphenyl)methyl]ethanamine.
What is the SMILES notation for N-[(2-bromo-5-fluorophenyl)-(2,5-dibromo-4-methylphenyl)methyl]ethanamine?
The canonical SMILES for N-[(2-bromo-5-fluorophenyl)-(2,5-dibromo-4-methylphenyl)methyl]ethanamine is CCNC(c1cc(F)ccc1Br)c1cc(Br)c(C)cc1Br.
What is the InChIKey of N-[(2-bromo-5-fluorophenyl)-(2,5-dibromo-4-methylphenyl)methyl]ethanamine?
The InChIKey is QEAUSSNVHQZFPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Br3FN/c1-3-21-16(11-7-10(20)4-5-13(11)17)12-8-14(18)9(2)6-15(12)19/h4-8,16,21H,3H2,1-2H3.
What are the key properties of N-[(2-bromo-5-fluorophenyl)-(2,5-dibromo-4-methylphenyl)methyl]ethanamine?
N-[(2-bromo-5-fluorophenyl)-(2,5-dibromo-4-methylphenyl)methyl]ethanamine has a molecular weight of 480.01 g/mol, XLogP of 6.12, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromo-5-fluorophenyl)-(2,5-dibromo-4-methylphenyl)methyl]ethanamine is sourced from PubChem (CID 81472919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).