N-[(4-bromo-2-fluorophenyl)-(5-bromo-2-methoxyphenyl)methyl]ethanamine

C16H16Br2FNO — CID 43487855

IUPACN-[(4-bromo-2-fluorophenyl)-(5-bromo-2-methoxyphenyl)methyl]ethanamine
SMILESCCNC(c1ccc(Br)cc1F)c1cc(Br)ccc1OC
InChIInChI=1S/C16H16Br2FNO/c1-3-20-16(12-6-4-11(18)9-14(12)19)13-8-10(17)5-7-15(13)21-2/h4-9,16,20H,3H2,1-2H3
InChIKeyDMCPDVMTHQTZTQ-UHFFFAOYSA-N
MW417.12 g/mol
LogP5.06
Rot. Bonds5

About N-[(4-bromo-2-fluorophenyl)-(5-bromo-2-methoxyphenyl)methyl]ethanamine

N-[(4-bromo-2-fluorophenyl)-(5-bromo-2-methoxyphenyl)methyl]ethanamine (PubChem CID 43487855) has the molecular formula C16H16Br2FNO and a molecular weight of 417.12 g/mol. Its IUPAC name is N-[(4-bromo-2-fluorophenyl)-(5-bromo-2-methoxyphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(4-bromo-2-fluorophenyl)-(5-bromo-2-methoxyphenyl)methyl]ethanamine
PubChem CID43487855
Molecular FormulaC16H16Br2FNO
Molecular Weight417.12 g/mol
Exact Mass414.96
IUPAC NameN-[(4-bromo-2-fluorophenyl)-(5-bromo-2-methoxyphenyl)methyl]ethanamine
SMILESCCNC(c1ccc(Br)cc1F)c1cc(Br)ccc1OC
InChIInChI=1S/C16H16Br2FNO/c1-3-20-16(12-6-4-11(18)9-14(12)19)13-8-10(17)5-7-15(13)21-2/h4-9,16,20H,3H2,1-2H3
InChIKeyDMCPDVMTHQTZTQ-UHFFFAOYSA-N
XLogP5.06
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.12
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(5-bromo-2-methoxyphenyl)-(2-fluorophenyl)methyl]ethanamine
CID 43487880
N-[(4-bromo-2-methoxyphenyl)-(2-fluorophenyl)methyl]ethanamine
CID 115828081
N-[(5-bromo-2-methoxyphenyl)-(3,5-difluorophenyl)methyl]ethanamine
CID 43487867
N-[(4-bromo-2-fluorophenyl)-(2,4,5-trifluorophenyl)methyl]ethanamine
CID 103302801
N-[(4-bromo-2-methoxyphenyl)-(2,3-difluorophenyl)methyl]ethanamine
CID 115861975
N-[(5-bromo-2-methoxyphenyl)-(4-methylphenyl)methyl]ethanamine
CID 43487907
1-(4-bromo-2-fluorophenyl)-1-(2,5-dimethoxyphenyl)-N-methylmethanamine
CID 43481987
1-(4-bromo-2-fluorophenyl)-1-(5-chloro-2-methoxyphenyl)-N-methylmethanamine
CID 104545947
[(4-bromo-2-fluorophenyl)-(5-fluoro-2-methoxyphenyl)methyl]hydrazine
CID 105280978
N-[(5-bromo-2-fluorophenyl)-(4-methoxy-3-methylphenyl)methyl]ethanamine
CID 43493610
N-[(4-bromo-2-fluorophenyl)-(3-methoxypyrazin-2-yl)methyl]ethanamine
CID 114906631
N-[(2-fluoro-4-methylphenyl)-(2-methoxyphenyl)methyl]ethanamine
CID 115793050

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-2-fluorophenyl)-(5-bromo-2-methoxyphenyl)methyl]ethanamine?
The IUPAC name of N-[(4-bromo-2-fluorophenyl)-(5-bromo-2-methoxyphenyl)methyl]ethanamine (CID 43487855) is N-[(4-bromo-2-fluorophenyl)-(5-bromo-2-methoxyphenyl)methyl]ethanamine.
What is the SMILES notation for N-[(4-bromo-2-fluorophenyl)-(5-bromo-2-methoxyphenyl)methyl]ethanamine?
The canonical SMILES for N-[(4-bromo-2-fluorophenyl)-(5-bromo-2-methoxyphenyl)methyl]ethanamine is CCNC(c1ccc(Br)cc1F)c1cc(Br)ccc1OC.
What is the InChIKey of N-[(4-bromo-2-fluorophenyl)-(5-bromo-2-methoxyphenyl)methyl]ethanamine?
The InChIKey is DMCPDVMTHQTZTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Br2FNO/c1-3-20-16(12-6-4-11(18)9-14(12)19)13-8-10(17)5-7-15(13)21-2/h4-9,16,20H,3H2,1-2H3.
What are the key properties of N-[(4-bromo-2-fluorophenyl)-(5-bromo-2-methoxyphenyl)methyl]ethanamine?
N-[(4-bromo-2-fluorophenyl)-(5-bromo-2-methoxyphenyl)methyl]ethanamine has a molecular weight of 417.12 g/mol, XLogP of 5.06, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromo-2-fluorophenyl)-(5-bromo-2-methoxyphenyl)methyl]ethanamine is sourced from PubChem (CID 43487855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).