N-[(3,5-dibromo-2-methoxyphenyl)methyl]-2,2-difluoroethanamine

C10H11Br2F2NO — CID 115405637

IUPACN-[(3,5-dibromo-2-methoxyphenyl)methyl]-2,2-difluoroethanamine
SMILESCOc1c(Br)cc(Br)cc1CNCC(F)F
InChIInChI=1S/C10H11Br2F2NO/c1-16-10-6(4-15-5-9(13)14)2-7(11)3-8(10)12/h2-3,9,15H,4-5H2,1H3
InChIKeyBTSPELFXWKNBIU-UHFFFAOYSA-N
MW359.01 g/mol
LogP3.57
Rot. Bonds5

About N-[(3,5-dibromo-2-methoxyphenyl)methyl]-2,2-difluoroethanamine

N-[(3,5-dibromo-2-methoxyphenyl)methyl]-2,2-difluoroethanamine (PubChem CID 115405637) has the molecular formula C10H11Br2F2NO and a molecular weight of 359.01 g/mol. Its IUPAC name is N-[(3,5-dibromo-2-methoxyphenyl)methyl]-2,2-difluoroethanamine.

Molecular Properties

Compound NameN-[(3,5-dibromo-2-methoxyphenyl)methyl]-2,2-difluoroethanamine
PubChem CID115405637
Molecular FormulaC10H11Br2F2NO
Molecular Weight359.01 g/mol
Exact Mass356.92
IUPAC NameN-[(3,5-dibromo-2-methoxyphenyl)methyl]-2,2-difluoroethanamine
SMILESCOc1c(Br)cc(Br)cc1CNCC(F)F
InChIInChI=1S/C10H11Br2F2NO/c1-16-10-6(4-15-5-9(13)14)2-7(11)3-8(10)12/h2-3,9,15H,4-5H2,1H3
InChIKeyBTSPELFXWKNBIU-UHFFFAOYSA-N
XLogP3.57
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.01
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(3,5-dibromo-2-methoxyphenyl)methylamino]propane-1,2-diol
CID 66176532
1-(2-bromo-5-fluorophenyl)-N-[(3,5-dibromo-2-methoxyphenyl)methyl]methanamine
CID 63452417
2-[(3,5-dibromo-2-methoxyphenyl)methylamino]ethanol;hydrochloride
CID 17290053
N-[(3,5-dibromo-2-methoxyphenyl)methyl]-1-(2-fluorophenyl)methanamine
CID 43221034
2,4,6-tribromo-N-[(3,5-dibromo-2-methoxyphenyl)methyl]aniline
CID 63425377
1-(4-bromothiophen-2-yl)-N-[(3,5-dibromo-2-methoxyphenyl)methyl]methanamine
CID 47271899
2-[(3,5-dibromo-2-methoxyphenyl)methylamino]-N-propan-2-ylacetamide
CID 43224145
N-[(3,5-dibromo-2-methoxyphenyl)methyl]-2-methylpropan-2-amine
CID 4715898
[4-[[(3,5-dibromo-2-methoxyphenyl)methylamino]methyl]phenyl]methanol
CID 107230240
N-[(3,5-dibromo-2-methoxyphenyl)methyl]cyclopropanamine
CID 4719896
(2S)-1-[(3,5-dibromo-2-ethoxyphenyl)methylamino]propan-2-ol
CID 51432536
ethyl 2-[(3,5-dibromo-2-methoxyphenyl)methylamino]acetate
CID 60811348

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dibromo-2-methoxyphenyl)methyl]-2,2-difluoroethanamine?
The IUPAC name of N-[(3,5-dibromo-2-methoxyphenyl)methyl]-2,2-difluoroethanamine (CID 115405637) is N-[(3,5-dibromo-2-methoxyphenyl)methyl]-2,2-difluoroethanamine.
What is the SMILES notation for N-[(3,5-dibromo-2-methoxyphenyl)methyl]-2,2-difluoroethanamine?
The canonical SMILES for N-[(3,5-dibromo-2-methoxyphenyl)methyl]-2,2-difluoroethanamine is COc1c(Br)cc(Br)cc1CNCC(F)F.
What is the InChIKey of N-[(3,5-dibromo-2-methoxyphenyl)methyl]-2,2-difluoroethanamine?
The InChIKey is BTSPELFXWKNBIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Br2F2NO/c1-16-10-6(4-15-5-9(13)14)2-7(11)3-8(10)12/h2-3,9,15H,4-5H2,1H3.
What are the key properties of N-[(3,5-dibromo-2-methoxyphenyl)methyl]-2,2-difluoroethanamine?
N-[(3,5-dibromo-2-methoxyphenyl)methyl]-2,2-difluoroethanamine has a molecular weight of 359.01 g/mol, XLogP of 3.57, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dibromo-2-methoxyphenyl)methyl]-2,2-difluoroethanamine is sourced from PubChem (CID 115405637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).