3-bromo-N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]aniline

C14H11Br2F2NO — CID 43762816

IUPAC3-bromo-N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]aniline
SMILESFC(F)Oc1ccc(Br)cc1CNc1cccc(Br)c1
InChIInChI=1S/C14H11Br2F2NO/c15-10-2-1-3-12(7-10)19-8-9-6-11(16)4-5-13(9)20-14(17)18/h1-7,14,19H,8H2
InChIKeyJSMGIEKLKQNJCP-UHFFFAOYSA-N
MW407.05 g/mol
LogP5.43
Rot. Bonds5

About 3-bromo-N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]aniline

3-bromo-N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]aniline (PubChem CID 43762816) has the molecular formula C14H11Br2F2NO and a molecular weight of 407.05 g/mol. Its IUPAC name is 3-bromo-N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]aniline.

Molecular Properties

Compound Name3-bromo-N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]aniline
PubChem CID43762816
Molecular FormulaC14H11Br2F2NO
Molecular Weight407.05 g/mol
Exact Mass404.92
IUPAC Name3-bromo-N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]aniline
SMILESFC(F)Oc1ccc(Br)cc1CNc1cccc(Br)c1
InChIInChI=1S/C14H11Br2F2NO/c15-10-2-1-3-12(7-10)19-8-9-6-11(16)4-5-13(9)20-14(17)18/h1-7,14,19H,8H2
InChIKeyJSMGIEKLKQNJCP-UHFFFAOYSA-N
XLogP5.43
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.05
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]pyridin-3-amine
CID 43756632
3-bromo-N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]-5-methylaniline
CID 107582286
N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]-1-(3-bromophenyl)methanamine
CID 61401345
N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]hydroxylamine
CID 82686505
N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]-3-chloro-2-methylaniline
CID 43758567
N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]-2,5-dimethylaniline
CID 43765856
N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]-3-methylbutan-2-amine
CID 43221077
N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]-4-fluoro-2-methylaniline
CID 43764858
N-[(3-bromophenyl)methyl]-3-(difluoromethoxy)aniline
CID 43698745
N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]butan-2-amine
CID 43230665
N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]-2-methoxyethanamine
CID 43220291
N-[(5-bromo-2-methoxyphenyl)methyl]-3-chloroaniline
CID 43087958

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]aniline?
The IUPAC name of 3-bromo-N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]aniline (CID 43762816) is 3-bromo-N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]aniline.
What is the SMILES notation for 3-bromo-N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]aniline?
The canonical SMILES for 3-bromo-N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]aniline is FC(F)Oc1ccc(Br)cc1CNc1cccc(Br)c1.
What is the InChIKey of 3-bromo-N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]aniline?
The InChIKey is JSMGIEKLKQNJCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Br2F2NO/c15-10-2-1-3-12(7-10)19-8-9-6-11(16)4-5-13(9)20-14(17)18/h1-7,14,19H,8H2.
What are the key properties of 3-bromo-N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]aniline?
3-bromo-N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]aniline has a molecular weight of 407.05 g/mol, XLogP of 5.43, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]aniline is sourced from PubChem (CID 43762816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).