N-[[3-bromo-4-(difluoromethoxy)-5-methoxyphenyl]methyl]ethanamine

C11H14BrF2NO2 — CID 43622358

IUPACN-[[3-bromo-4-(difluoromethoxy)-5-methoxyphenyl]methyl]ethanamine
SMILESCCNCc1cc(Br)c(OC(F)F)c(OC)c1
InChIInChI=1S/C11H14BrF2NO2/c1-3-15-6-7-4-8(12)10(17-11(13)14)9(5-7)16-2/h4-5,11,15H,3,6H2,1-2H3
InChIKeyCNYGNPXWEAJGEE-UHFFFAOYSA-N
MW310.14 g/mol
LogP3.17
Rot. Bonds6

About N-[[3-bromo-4-(difluoromethoxy)-5-methoxyphenyl]methyl]ethanamine

N-[[3-bromo-4-(difluoromethoxy)-5-methoxyphenyl]methyl]ethanamine (PubChem CID 43622358) has the molecular formula C11H14BrF2NO2 and a molecular weight of 310.14 g/mol. Its IUPAC name is N-[[3-bromo-4-(difluoromethoxy)-5-methoxyphenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[3-bromo-4-(difluoromethoxy)-5-methoxyphenyl]methyl]ethanamine
PubChem CID43622358
Molecular FormulaC11H14BrF2NO2
Molecular Weight310.14 g/mol
Exact Mass309.02
IUPAC NameN-[[3-bromo-4-(difluoromethoxy)-5-methoxyphenyl]methyl]ethanamine
SMILESCCNCc1cc(Br)c(OC(F)F)c(OC)c1
InChIInChI=1S/C11H14BrF2NO2/c1-3-15-6-7-4-8(12)10(17-11(13)14)9(5-7)16-2/h4-5,11,15H,3,6H2,1-2H3
InChIKeyCNYGNPXWEAJGEE-UHFFFAOYSA-N
XLogP3.17
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.14
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[3-bromo-4-(difluoromethoxy)-5-methoxyphenyl]methyl]ethanamine with MolForge

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Related Compounds

(2R)-2-[[3-bromo-4-(difluoromethoxy)-5-methoxyphenyl]methylamino]propan-1-ol
CID 110905821
2-[2-bromo-4-(ethylaminomethyl)-6-methoxyphenoxy]propanamide
CID 43622339
N-[[3-bromo-4-(difluoromethoxy)-5-methoxyphenyl]methyl]-1-(4-fluoro-3-methylphenyl)methanamine
CID 78895583
[3-bromo-4-(difluoromethoxy)-5-methoxyphenyl]methanamine
CID 43622273
N-[(3-bromo-5-methoxy-4-propoxyphenyl)methyl]ethanamine
CID 29227219
N-[[3-bromo-5-methoxy-4-(methoxymethoxy)phenyl]methyl]ethanamine
CID 65365362
2-[2-bromo-4-(ethylaminomethyl)-6-methoxyphenoxy]-N,N-dimethylpropanamide
CID 43622338
N-[(3-bromo-4-butan-2-yloxy-5-methoxyphenyl)methyl]-2-methylpropan-1-amine
CID 63055810
(2R)-1-[(3-bromo-5-methoxy-4-propan-2-yloxyphenyl)methylamino]propan-2-ol
CID 51996876
N-[[3-bromo-4-(difluoromethoxy)phenyl]methyl]ethanamine
CID 63045683
N-[[3-bromo-4-(difluoromethoxy)-5-methoxyphenyl]methyl]-1-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methanamine
CID 78895498
N-[(3-bromo-5-methoxy-4-phenylmethoxyphenyl)methyl]ethanamine
CID 4716491

Frequently Asked Questions

What is the IUPAC name of N-[[3-bromo-4-(difluoromethoxy)-5-methoxyphenyl]methyl]ethanamine?
The IUPAC name of N-[[3-bromo-4-(difluoromethoxy)-5-methoxyphenyl]methyl]ethanamine (CID 43622358) is N-[[3-bromo-4-(difluoromethoxy)-5-methoxyphenyl]methyl]ethanamine.
What is the SMILES notation for N-[[3-bromo-4-(difluoromethoxy)-5-methoxyphenyl]methyl]ethanamine?
The canonical SMILES for N-[[3-bromo-4-(difluoromethoxy)-5-methoxyphenyl]methyl]ethanamine is CCNCc1cc(Br)c(OC(F)F)c(OC)c1.
What is the InChIKey of N-[[3-bromo-4-(difluoromethoxy)-5-methoxyphenyl]methyl]ethanamine?
The InChIKey is CNYGNPXWEAJGEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrF2NO2/c1-3-15-6-7-4-8(12)10(17-11(13)14)9(5-7)16-2/h4-5,11,15H,3,6H2,1-2H3.
What are the key properties of N-[[3-bromo-4-(difluoromethoxy)-5-methoxyphenyl]methyl]ethanamine?
N-[[3-bromo-4-(difluoromethoxy)-5-methoxyphenyl]methyl]ethanamine has a molecular weight of 310.14 g/mol, XLogP of 3.17, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-bromo-4-(difluoromethoxy)-5-methoxyphenyl]methyl]ethanamine is sourced from PubChem (CID 43622358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).