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

C15H14Br2FN — CID 79747194

IUPACN-[(3-bromo-4-fluorophenyl)-(3-bromophenyl)methyl]ethanamine
SMILESCCNC(c1cccc(Br)c1)c1ccc(F)c(Br)c1
InChIInChI=1S/C15H14Br2FN/c1-2-19-15(10-4-3-5-12(16)8-10)11-6-7-14(18)13(17)9-11/h3-9,15,19H,2H2,1H3
InChIKeyVOKHTOPOIAKPMD-UHFFFAOYSA-N
MW387.09 g/mol
LogP5.05
Rot. Bonds4

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

N-[(3-bromo-4-fluorophenyl)-(3-bromophenyl)methyl]ethanamine (PubChem CID 79747194) has the molecular formula C15H14Br2FN and a molecular weight of 387.09 g/mol. Its IUPAC name is N-[(3-bromo-4-fluorophenyl)-(3-bromophenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(3-bromo-4-fluorophenyl)-(3-bromophenyl)methyl]ethanamine
PubChem CID79747194
Molecular FormulaC15H14Br2FN
Molecular Weight387.09 g/mol
Exact Mass384.95
IUPAC NameN-[(3-bromo-4-fluorophenyl)-(3-bromophenyl)methyl]ethanamine
SMILESCCNC(c1cccc(Br)c1)c1ccc(F)c(Br)c1
InChIInChI=1S/C15H14Br2FN/c1-2-19-15(10-4-3-5-12(16)8-10)11-6-7-14(18)13(17)9-11/h3-9,15,19H,2H2,1H3
InChIKeyVOKHTOPOIAKPMD-UHFFFAOYSA-N
XLogP5.05
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.09
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(3-bromo-4-fluorophenyl)-(4-bromo-2-fluorophenyl)methyl]ethanamine
CID 79746769
N-[(3-bromo-4-fluorophenyl)-(4-methylsulfanylphenyl)methyl]ethanamine
CID 79747602
N-[(3-bromophenyl)-(2,4,5-trifluorophenyl)methyl]ethanamine
CID 103302655
N-[(3-bromophenyl)-(2,6-difluoro-3-methylphenyl)methyl]ethanamine
CID 82823036
N-[(3-bromo-4-fluorophenyl)-pyrimidin-5-ylmethyl]ethanamine
CID 82809323
N-[(3-bromo-4-fluorophenyl)-(2-chloro-6-fluorophenyl)methyl]ethanamine
CID 79747189
N-[(4-bromo-2-chlorophenyl)-(3-bromo-4-fluorophenyl)methyl]ethanamine
CID 79747518
N-[(3-bromo-4-fluorophenyl)-(4-bromo-2-methoxyphenyl)methyl]ethanamine
CID 115369013
N-[(4-bromophenyl)-(3-fluorophenyl)methyl]ethanamine
CID 43488690
N-[(3-bromophenyl)-[4-(2-methylpropyl)phenyl]methyl]ethanamine
CID 43488257
N-[(3-bromo-4-fluorophenyl)-(2-methoxyphenyl)methyl]ethanamine
CID 79747190
N-[(3-bromo-5-fluorophenyl)-(3-fluorophenyl)methyl]ethanamine
CID 66423459

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromo-4-fluorophenyl)-(3-bromophenyl)methyl]ethanamine?
The IUPAC name of N-[(3-bromo-4-fluorophenyl)-(3-bromophenyl)methyl]ethanamine (CID 79747194) is N-[(3-bromo-4-fluorophenyl)-(3-bromophenyl)methyl]ethanamine.
What is the SMILES notation for N-[(3-bromo-4-fluorophenyl)-(3-bromophenyl)methyl]ethanamine?
The canonical SMILES for N-[(3-bromo-4-fluorophenyl)-(3-bromophenyl)methyl]ethanamine is CCNC(c1cccc(Br)c1)c1ccc(F)c(Br)c1.
What is the InChIKey of N-[(3-bromo-4-fluorophenyl)-(3-bromophenyl)methyl]ethanamine?
The InChIKey is VOKHTOPOIAKPMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Br2FN/c1-2-19-15(10-4-3-5-12(16)8-10)11-6-7-14(18)13(17)9-11/h3-9,15,19H,2H2,1H3.
What are the key properties of N-[(3-bromo-4-fluorophenyl)-(3-bromophenyl)methyl]ethanamine?
N-[(3-bromo-4-fluorophenyl)-(3-bromophenyl)methyl]ethanamine has a molecular weight of 387.09 g/mol, XLogP of 5.05, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromo-4-fluorophenyl)-(3-bromophenyl)methyl]ethanamine is sourced from PubChem (CID 79747194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).