2-bromo-4,6-difluoro-N-[1-(2-methoxyphenyl)propan-2-yl]aniline

C16H16BrF2NO — CID 43775031

IUPAC2-bromo-4,6-difluoro-N-[1-(2-methoxyphenyl)propan-2-yl]aniline
SMILESCOc1ccccc1CC(C)Nc1c(F)cc(F)cc1Br
InChIInChI=1S/C16H16BrF2NO/c1-10(7-11-5-3-4-6-15(11)21-2)20-16-13(17)8-12(18)9-14(16)19/h3-6,8-10,20H,7H2,1-2H3
InChIKeyDDDPESAQTJOYMK-UHFFFAOYSA-N
MW356.21 g/mol
LogP4.78
Rot. Bonds5

About 2-bromo-4,6-difluoro-N-[1-(2-methoxyphenyl)propan-2-yl]aniline

2-bromo-4,6-difluoro-N-[1-(2-methoxyphenyl)propan-2-yl]aniline (PubChem CID 43775031) has the molecular formula C16H16BrF2NO and a molecular weight of 356.21 g/mol. Its IUPAC name is 2-bromo-4,6-difluoro-N-[1-(2-methoxyphenyl)propan-2-yl]aniline.

Molecular Properties

Compound Name2-bromo-4,6-difluoro-N-[1-(2-methoxyphenyl)propan-2-yl]aniline
PubChem CID43775031
Molecular FormulaC16H16BrF2NO
Molecular Weight356.21 g/mol
Exact Mass355.04
IUPAC Name2-bromo-4,6-difluoro-N-[1-(2-methoxyphenyl)propan-2-yl]aniline
SMILESCOc1ccccc1CC(C)Nc1c(F)cc(F)cc1Br
InChIInChI=1S/C16H16BrF2NO/c1-10(7-11-5-3-4-6-15(11)21-2)20-16-13(17)8-12(18)9-14(16)19/h3-6,8-10,20H,7H2,1-2H3
InChIKeyDDDPESAQTJOYMK-UHFFFAOYSA-N
XLogP4.78
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.21
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-N-[1-(2-methoxyphenyl)propan-2-yl]aniline
CID 43762628
N-[(4-bromo-3-fluorophenyl)methyl]-1-(2-methoxyphenyl)propan-2-amine
CID 81432305
2,4,6-tribromo-N-[1-(2-fluorophenyl)propan-2-yl]aniline
CID 114828434
2-bromo-N-[1-(3-bromo-4-methoxyphenyl)ethyl]-4,6-difluoroaniline
CID 43775014
2-bromo-4,6-difluoro-N-[1-(4-fluoro-3-methoxyphenyl)ethyl]aniline
CID 83059918
N-[(5-bromo-2-fluorophenyl)methyl]-1-(2-methoxyphenyl)propan-2-amine
CID 60936188
5-bromo-N-[1-(2-methoxyphenyl)propan-2-yl]-2-methylaniline
CID 43787862
2-chloro-N-[1-(2-methoxyphenyl)propan-2-yl]-6-methylaniline
CID 66251267
2,4-dichloro-N-[1-(2-methoxyphenyl)propan-2-yl]aniline
CID 43758711
6-fluoro-N-[1-(2-methoxyphenyl)propan-2-yl]pyridin-2-amine
CID 115591110
2-bromo-N-[(5-chloro-2-methoxyphenyl)methyl]-4,6-difluoroaniline
CID 43646669
5-chloro-N-[1-(2-methoxyphenyl)propan-2-yl]-2-methylaniline
CID 43755227

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4,6-difluoro-N-[1-(2-methoxyphenyl)propan-2-yl]aniline?
The IUPAC name of 2-bromo-4,6-difluoro-N-[1-(2-methoxyphenyl)propan-2-yl]aniline (CID 43775031) is 2-bromo-4,6-difluoro-N-[1-(2-methoxyphenyl)propan-2-yl]aniline.
What is the SMILES notation for 2-bromo-4,6-difluoro-N-[1-(2-methoxyphenyl)propan-2-yl]aniline?
The canonical SMILES for 2-bromo-4,6-difluoro-N-[1-(2-methoxyphenyl)propan-2-yl]aniline is COc1ccccc1CC(C)Nc1c(F)cc(F)cc1Br.
What is the InChIKey of 2-bromo-4,6-difluoro-N-[1-(2-methoxyphenyl)propan-2-yl]aniline?
The InChIKey is DDDPESAQTJOYMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrF2NO/c1-10(7-11-5-3-4-6-15(11)21-2)20-16-13(17)8-12(18)9-14(16)19/h3-6,8-10,20H,7H2,1-2H3.
What are the key properties of 2-bromo-4,6-difluoro-N-[1-(2-methoxyphenyl)propan-2-yl]aniline?
2-bromo-4,6-difluoro-N-[1-(2-methoxyphenyl)propan-2-yl]aniline has a molecular weight of 356.21 g/mol, XLogP of 4.78, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4,6-difluoro-N-[1-(2-methoxyphenyl)propan-2-yl]aniline is sourced from PubChem (CID 43775031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).