N-[(3,4-dibromophenyl)methyl]ethanamine

C9H11Br2N — CID 115692981

IUPACN-[(3,4-dibromophenyl)methyl]ethanamine
SMILESCCNCc1ccc(Br)c(Br)c1
InChIInChI=1S/C9H11Br2N/c1-2-12-6-7-3-4-8(10)9(11)5-7/h3-5,12H,2,6H2,1H3
InChIKeyWQYJFFGGFJQWBR-UHFFFAOYSA-N
MW293.00 g/mol
LogP3.32
Rot. Bonds3

About N-[(3,4-dibromophenyl)methyl]ethanamine

N-[(3,4-dibromophenyl)methyl]ethanamine (PubChem CID 115692981) has the molecular formula C9H11Br2N and a molecular weight of 293.00 g/mol. Its IUPAC name is N-[(3,4-dibromophenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(3,4-dibromophenyl)methyl]ethanamine
PubChem CID115692981
Molecular FormulaC9H11Br2N
Molecular Weight293.00 g/mol
Exact Mass290.93
IUPAC NameN-[(3,4-dibromophenyl)methyl]ethanamine
SMILESCCNCc1ccc(Br)c(Br)c1
InChIInChI=1S/C9H11Br2N/c1-2-12-6-7-3-4-8(10)9(11)5-7/h3-5,12H,2,6H2,1H3
InChIKeyWQYJFFGGFJQWBR-UHFFFAOYSA-N
XLogP3.32
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.00
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(3-bromo-4-methylphenyl)methyl]ethanamine
CID 81471854
2-[(3,4-dibromophenyl)methylamino]ethanol
CID 75525100
[4-[[(3,4-dibromophenyl)methylamino]methyl]phenyl]methanol
CID 107229828
N-[(3,4-dibromophenyl)methyl]prop-2-yn-1-amine
CID 115692967
N-[[3-bromo-4-(methoxymethyl)phenyl]methyl]ethanamine
CID 102772329
N-[(3,4-dibromophenyl)methyl]-2-methylsulfanylethanamine
CID 115692957
N-[(3-bromo-4-thiomorpholin-4-ylphenyl)methyl]ethanamine
CID 114062690
N-[(3,4-dibromophenyl)methyl]-2-ethoxypropan-1-amine
CID 115693242
N-[[3-bromo-4-(difluoromethoxy)phenyl]methyl]ethanamine
CID 63045683
2-[2-bromo-4-(ethylaminomethyl)phenoxy]ethanol
CID 63044980
6-[(3,4-dibromophenyl)methylamino]hexan-1-ol
CID 113352570
N'-[(3-bromo-4-fluorophenyl)methyl]-N-ethylethane-1,2-diamine
CID 107951053

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dibromophenyl)methyl]ethanamine?
The IUPAC name of N-[(3,4-dibromophenyl)methyl]ethanamine (CID 115692981) is N-[(3,4-dibromophenyl)methyl]ethanamine.
What is the SMILES notation for N-[(3,4-dibromophenyl)methyl]ethanamine?
The canonical SMILES for N-[(3,4-dibromophenyl)methyl]ethanamine is CCNCc1ccc(Br)c(Br)c1.
What is the InChIKey of N-[(3,4-dibromophenyl)methyl]ethanamine?
The InChIKey is WQYJFFGGFJQWBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11Br2N/c1-2-12-6-7-3-4-8(10)9(11)5-7/h3-5,12H,2,6H2,1H3.
What are the key properties of N-[(3,4-dibromophenyl)methyl]ethanamine?
N-[(3,4-dibromophenyl)methyl]ethanamine has a molecular weight of 293.00 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dibromophenyl)methyl]ethanamine is sourced from PubChem (CID 115692981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).