N-[(2-bromo-4-fluorophenyl)-(3-bromo-4-methoxyphenyl)methyl]ethanamine

C16H16Br2FNO — CID 43487803

IUPACN-[(2-bromo-4-fluorophenyl)-(3-bromo-4-methoxyphenyl)methyl]ethanamine
SMILESCCNC(c1ccc(OC)c(Br)c1)c1ccc(F)cc1Br
InChIInChI=1S/C16H16Br2FNO/c1-3-20-16(12-6-5-11(19)9-13(12)17)10-4-7-15(21-2)14(18)8-10/h4-9,16,20H,3H2,1-2H3
InChIKeyQVMIFKCURXPVCH-UHFFFAOYSA-N
MW417.12 g/mol
LogP5.06
Rot. Bonds5

About N-[(2-bromo-4-fluorophenyl)-(3-bromo-4-methoxyphenyl)methyl]ethanamine

N-[(2-bromo-4-fluorophenyl)-(3-bromo-4-methoxyphenyl)methyl]ethanamine (PubChem CID 43487803) has the molecular formula C16H16Br2FNO and a molecular weight of 417.12 g/mol. Its IUPAC name is N-[(2-bromo-4-fluorophenyl)-(3-bromo-4-methoxyphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2-bromo-4-fluorophenyl)-(3-bromo-4-methoxyphenyl)methyl]ethanamine
PubChem CID43487803
Molecular FormulaC16H16Br2FNO
Molecular Weight417.12 g/mol
Exact Mass414.96
IUPAC NameN-[(2-bromo-4-fluorophenyl)-(3-bromo-4-methoxyphenyl)methyl]ethanamine
SMILESCCNC(c1ccc(OC)c(Br)c1)c1ccc(F)cc1Br
InChIInChI=1S/C16H16Br2FNO/c1-3-20-16(12-6-5-11(19)9-13(12)17)10-4-7-15(21-2)14(18)8-10/h4-9,16,20H,3H2,1-2H3
InChIKeyQVMIFKCURXPVCH-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-[(2-bromo-4-fluorophenyl)-(4-bromophenyl)methyl]ethanamine
CID 43488718
N-[(5-bromo-2-chlorophenyl)-(3-bromo-4-methoxyphenyl)methyl]ethanamine
CID 43487727
N-[(3-bromo-4-fluorophenyl)-(2-methoxyphenyl)methyl]ethanamine
CID 79747190
N-[(3-bromo-4-methoxyphenyl)-(3,4-dimethylphenyl)methyl]ethanamine
CID 43487806
(2-bromo-4-fluorophenyl)-(3-bromo-4-methoxyphenyl)methanol
CID 61101513
N-[(2,4-difluorophenyl)-(4-methoxy-3-methylphenyl)methyl]ethanamine
CID 43493625
N-[(2-bromo-4-fluorophenyl)-(3-chloro-4-methylphenyl)methyl]ethanamine
CID 107560861
N-[(3-bromo-4-methoxyphenyl)-(4-methylsulfanylphenyl)methyl]ethanamine
CID 79212535
N-[(2-bromo-4-chlorophenyl)-(3-chloro-4-methoxyphenyl)methyl]ethanamine
CID 107987395
N-[(3-bromo-4-methoxyphenyl)-(2-bromo-3-methylphenyl)methyl]ethanamine
CID 107981905
N-[(3-bromo-4-fluorophenyl)-(4-bromo-2-methoxyphenyl)methyl]ethanamine
CID 115369013
[(3-bromo-4-methoxyphenyl)-(5-fluoro-2-methoxyphenyl)methyl]hydrazine
CID 105330905

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromo-4-fluorophenyl)-(3-bromo-4-methoxyphenyl)methyl]ethanamine?
The IUPAC name of N-[(2-bromo-4-fluorophenyl)-(3-bromo-4-methoxyphenyl)methyl]ethanamine (CID 43487803) is N-[(2-bromo-4-fluorophenyl)-(3-bromo-4-methoxyphenyl)methyl]ethanamine.
What is the SMILES notation for N-[(2-bromo-4-fluorophenyl)-(3-bromo-4-methoxyphenyl)methyl]ethanamine?
The canonical SMILES for N-[(2-bromo-4-fluorophenyl)-(3-bromo-4-methoxyphenyl)methyl]ethanamine is CCNC(c1ccc(OC)c(Br)c1)c1ccc(F)cc1Br.
What is the InChIKey of N-[(2-bromo-4-fluorophenyl)-(3-bromo-4-methoxyphenyl)methyl]ethanamine?
The InChIKey is QVMIFKCURXPVCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Br2FNO/c1-3-20-16(12-6-5-11(19)9-13(12)17)10-4-7-15(21-2)14(18)8-10/h4-9,16,20H,3H2,1-2H3.
What are the key properties of N-[(2-bromo-4-fluorophenyl)-(3-bromo-4-methoxyphenyl)methyl]ethanamine?
N-[(2-bromo-4-fluorophenyl)-(3-bromo-4-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-[(2-bromo-4-fluorophenyl)-(3-bromo-4-methoxyphenyl)methyl]ethanamine is sourced from PubChem (CID 43487803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).