N-[[3-bromo-4-(difluoromethoxy)phenyl]methyl]ethanamine

C10H12BrF2NO — CID 63045683

IUPACN-[[3-bromo-4-(difluoromethoxy)phenyl]methyl]ethanamine
SMILESCCNCc1ccc(OC(F)F)c(Br)c1
InChIInChI=1S/C10H12BrF2NO/c1-2-14-6-7-3-4-9(8(11)5-7)15-10(12)13/h3-5,10,14H,2,6H2,1H3
InChIKeyRVRWBKZUOWCVMG-UHFFFAOYSA-N
MW280.11 g/mol
LogP3.16
Rot. Bonds5

About N-[[3-bromo-4-(difluoromethoxy)phenyl]methyl]ethanamine

N-[[3-bromo-4-(difluoromethoxy)phenyl]methyl]ethanamine (PubChem CID 63045683) has the molecular formula C10H12BrF2NO and a molecular weight of 280.11 g/mol. Its IUPAC name is N-[[3-bromo-4-(difluoromethoxy)phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[3-bromo-4-(difluoromethoxy)phenyl]methyl]ethanamine
PubChem CID63045683
Molecular FormulaC10H12BrF2NO
Molecular Weight280.11 g/mol
Exact Mass279.01
IUPAC NameN-[[3-bromo-4-(difluoromethoxy)phenyl]methyl]ethanamine
SMILESCCNCc1ccc(OC(F)F)c(Br)c1
InChIInChI=1S/C10H12BrF2NO/c1-2-14-6-7-3-4-9(8(11)5-7)15-10(12)13/h3-5,10,14H,2,6H2,1H3
InChIKeyRVRWBKZUOWCVMG-UHFFFAOYSA-N
XLogP3.16
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.11
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[3-bromo-4-(2,2-difluoroethoxy)phenyl]methyl]ethanamine
CID 63044994
N-[(3-bromo-4-but-3-en-2-yloxyphenyl)methyl]ethanamine
CID 63045158
2-[2-bromo-4-(ethylaminomethyl)phenoxy]ethanol
CID 63044980
N-[[3-bromo-4-(2-methylbutoxy)phenyl]methyl]ethanamine
CID 63047238
N-[(3-bromo-4-cyclopentyloxyphenyl)methyl]ethanamine
CID 63045514
N-[[3-bromo-4-(difluoromethoxy)-5-methoxyphenyl]methyl]ethanamine
CID 43622358
N-[[3-bromo-4-[(4-fluorophenyl)methoxy]phenyl]methyl]ethanamine
CID 63046886
N-[(3,4-dibromophenyl)methyl]ethanamine
CID 115692981
2-[2-bromo-4-(propylaminomethyl)phenoxy]propan-1-ol
CID 114266685
N-[[3-bromo-4-[[1-(difluoromethyl)imidazol-2-yl]methoxy]phenyl]methyl]ethanamine
CID 63046370
N-[(3-bromo-4-methylphenyl)methyl]ethanamine
CID 81471854
N'-[(3-bromo-4-methoxyphenyl)methyl]-N-ethylpropane-1,3-diamine
CID 113410172

Frequently Asked Questions

What is the IUPAC name of N-[[3-bromo-4-(difluoromethoxy)phenyl]methyl]ethanamine?
The IUPAC name of N-[[3-bromo-4-(difluoromethoxy)phenyl]methyl]ethanamine (CID 63045683) is N-[[3-bromo-4-(difluoromethoxy)phenyl]methyl]ethanamine.
What is the SMILES notation for N-[[3-bromo-4-(difluoromethoxy)phenyl]methyl]ethanamine?
The canonical SMILES for N-[[3-bromo-4-(difluoromethoxy)phenyl]methyl]ethanamine is CCNCc1ccc(OC(F)F)c(Br)c1.
What is the InChIKey of N-[[3-bromo-4-(difluoromethoxy)phenyl]methyl]ethanamine?
The InChIKey is RVRWBKZUOWCVMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrF2NO/c1-2-14-6-7-3-4-9(8(11)5-7)15-10(12)13/h3-5,10,14H,2,6H2,1H3.
What are the key properties of N-[[3-bromo-4-(difluoromethoxy)phenyl]methyl]ethanamine?
N-[[3-bromo-4-(difluoromethoxy)phenyl]methyl]ethanamine has a molecular weight of 280.11 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-bromo-4-(difluoromethoxy)phenyl]methyl]ethanamine is sourced from PubChem (CID 63045683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).