N-[[3-bromo-4-(2,2-difluoroethoxy)phenyl]methyl]ethanamine

C11H14BrF2NO — CID 63044994

IUPACN-[[3-bromo-4-(2,2-difluoroethoxy)phenyl]methyl]ethanamine
SMILESCCNCc1ccc(OCC(F)F)c(Br)c1
InChIInChI=1S/C11H14BrF2NO/c1-2-15-6-8-3-4-10(9(12)5-8)16-7-11(13)14/h3-5,11,15H,2,6-7H2,1H3
InChIKeyDSSZDDDIBPXMJO-UHFFFAOYSA-N
MW294.14 g/mol
LogP3.20
Rot. Bonds6

About N-[[3-bromo-4-(2,2-difluoroethoxy)phenyl]methyl]ethanamine

N-[[3-bromo-4-(2,2-difluoroethoxy)phenyl]methyl]ethanamine (PubChem CID 63044994) has the molecular formula C11H14BrF2NO and a molecular weight of 294.14 g/mol. Its IUPAC name is N-[[3-bromo-4-(2,2-difluoroethoxy)phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[3-bromo-4-(2,2-difluoroethoxy)phenyl]methyl]ethanamine
PubChem CID63044994
Molecular FormulaC11H14BrF2NO
Molecular Weight294.14 g/mol
Exact Mass293.02
IUPAC NameN-[[3-bromo-4-(2,2-difluoroethoxy)phenyl]methyl]ethanamine
SMILESCCNCc1ccc(OCC(F)F)c(Br)c1
InChIInChI=1S/C11H14BrF2NO/c1-2-15-6-8-3-4-10(9(12)5-8)16-7-11(13)14/h3-5,11,15H,2,6-7H2,1H3
InChIKeyDSSZDDDIBPXMJO-UHFFFAOYSA-N
XLogP3.20
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.14
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[3-bromo-4-(2-methylbutoxy)phenyl]methyl]ethanamine
CID 63047238
N-[[3-bromo-4-(difluoromethoxy)phenyl]methyl]ethanamine
CID 63045683
2-[2-bromo-4-(ethylaminomethyl)phenoxy]ethanol
CID 63044980
N-[[3-bromo-4-[(4-fluorophenyl)methoxy]phenyl]methyl]ethanamine
CID 63046886
1-[2-bromo-4-(propylaminomethyl)phenoxy]-3-methoxypropan-2-ol
CID 63928342
N-[[3-bromo-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]methyl]ethanamine
CID 112588180
N-[[3-bromo-4-[[1-(difluoromethyl)imidazol-2-yl]methoxy]phenyl]methyl]ethanamine
CID 63046370
methyl 3-[2-bromo-4-(ethylaminomethyl)phenoxy]propanoate
CID 63948285
ethyl 2-[2-bromo-4-(ethylaminomethyl)phenoxy]acetate
CID 63047063
N-[(3-bromo-4-cyclopentyloxyphenyl)methyl]ethanamine
CID 63045514
1-[3-bromo-4-(2-ethylbutoxy)phenyl]-N-methylmethanamine
CID 82927336
N-[(3,4-dibromophenyl)methyl]ethanamine
CID 115692981

Frequently Asked Questions

What is the IUPAC name of N-[[3-bromo-4-(2,2-difluoroethoxy)phenyl]methyl]ethanamine?
The IUPAC name of N-[[3-bromo-4-(2,2-difluoroethoxy)phenyl]methyl]ethanamine (CID 63044994) is N-[[3-bromo-4-(2,2-difluoroethoxy)phenyl]methyl]ethanamine.
What is the SMILES notation for N-[[3-bromo-4-(2,2-difluoroethoxy)phenyl]methyl]ethanamine?
The canonical SMILES for N-[[3-bromo-4-(2,2-difluoroethoxy)phenyl]methyl]ethanamine is CCNCc1ccc(OCC(F)F)c(Br)c1.
What is the InChIKey of N-[[3-bromo-4-(2,2-difluoroethoxy)phenyl]methyl]ethanamine?
The InChIKey is DSSZDDDIBPXMJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrF2NO/c1-2-15-6-8-3-4-10(9(12)5-8)16-7-11(13)14/h3-5,11,15H,2,6-7H2,1H3.
What are the key properties of N-[[3-bromo-4-(2,2-difluoroethoxy)phenyl]methyl]ethanamine?
N-[[3-bromo-4-(2,2-difluoroethoxy)phenyl]methyl]ethanamine has a molecular weight of 294.14 g/mol, XLogP of 3.20, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-bromo-4-(2,2-difluoroethoxy)phenyl]methyl]ethanamine is sourced from PubChem (CID 63044994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).