(1R)-1-(3-bromophenyl)-N-[[2-(difluoromethoxy)phenyl]methyl]ethanamine

C16H16BrF2NO — CID 29281708

IUPAC(1R)-1-(3-bromophenyl)-N-[[2-(difluoromethoxy)phenyl]methyl]ethanamine
SMILESC[C@@H](NCc1ccccc1OC(F)F)c1cccc(Br)c1
InChIInChI=1S/C16H16BrF2NO/c1-11(12-6-4-7-14(17)9-12)20-10-13-5-2-3-8-15(13)21-16(18)19/h2-9,11,16,20H,10H2,1H3/t11-/m1/s1
InChIKeyXUDKRFUAQOMVOZ-LLVKDONJSA-N
MW356.21 g/mol
LogP4.90
Rot. Bonds6

About (1R)-1-(3-bromophenyl)-N-[[2-(difluoromethoxy)phenyl]methyl]ethanamine

(1R)-1-(3-bromophenyl)-N-[[2-(difluoromethoxy)phenyl]methyl]ethanamine (PubChem CID 29281708) has the molecular formula C16H16BrF2NO and a molecular weight of 356.21 g/mol. Its IUPAC name is (1R)-1-(3-bromophenyl)-N-[[2-(difluoromethoxy)phenyl]methyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-(3-bromophenyl)-N-[[2-(difluoromethoxy)phenyl]methyl]ethanamine
PubChem CID29281708
Molecular FormulaC16H16BrF2NO
Molecular Weight356.21 g/mol
Exact Mass355.04
IUPAC Name(1R)-1-(3-bromophenyl)-N-[[2-(difluoromethoxy)phenyl]methyl]ethanamine
SMILESC[C@@H](NCc1ccccc1OC(F)F)c1cccc(Br)c1
InChIInChI=1S/C16H16BrF2NO/c1-11(12-6-4-7-14(17)9-12)20-10-13-5-2-3-8-15(13)21-16(18)19/h2-9,11,16,20H,10H2,1H3/t11-/m1/s1
InChIKeyXUDKRFUAQOMVOZ-LLVKDONJSA-N
XLogP4.90
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.21
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-N-[[2-(difluoromethoxy)phenyl]methyl]-1-(3-fluorophenyl)ethanamine
CID 28661843
(1S)-N-[[2-(difluoromethoxy)phenyl]methyl]-1-(4-methylphenyl)ethanamine
CID 28661741
(1R)-1-(3-bromophenyl)-N-[(2-methylphenyl)methyl]ethanamine
CID 81371674
N-[1-(3-bromophenyl)ethyl]-2-(difluoromethoxy)aniline
CID 43202029
2-[[1-(3-bromophenyl)ethylamino]methyl]benzonitrile
CID 54896298
(1S)-1-(3-bromophenyl)-N-[(2,5-difluorophenyl)methyl]ethanamine
CID 81381728
(1R)-N-[(2-bromo-4-fluorophenyl)methyl]-1-(3-bromophenyl)ethanamine
CID 81381880
1-(3-bromophenyl)-N-[(2,4,5-trifluorophenyl)methyl]ethanamine
CID 103792453
(1S)-1-(3-chlorophenyl)-N-[(2-propan-2-yloxyphenyl)methyl]ethanamine
CID 81362672
N-[[2-(difluoromethoxy)phenyl]methyl]butan-2-amine
CID 43177333
(1R)-1-(3-bromophenyl)-N-[(2-nitrophenyl)methyl]ethanamine
CID 81371840
N-[[2-(difluoromethoxy)phenyl]methyl]-1-(2,5-dimethylthiophen-3-yl)ethanamine
CID 43098513

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(3-bromophenyl)-N-[[2-(difluoromethoxy)phenyl]methyl]ethanamine?
The IUPAC name of (1R)-1-(3-bromophenyl)-N-[[2-(difluoromethoxy)phenyl]methyl]ethanamine (CID 29281708) is (1R)-1-(3-bromophenyl)-N-[[2-(difluoromethoxy)phenyl]methyl]ethanamine.
What is the SMILES notation for (1R)-1-(3-bromophenyl)-N-[[2-(difluoromethoxy)phenyl]methyl]ethanamine?
The canonical SMILES for (1R)-1-(3-bromophenyl)-N-[[2-(difluoromethoxy)phenyl]methyl]ethanamine is C[C@@H](NCc1ccccc1OC(F)F)c1cccc(Br)c1.
What is the InChIKey of (1R)-1-(3-bromophenyl)-N-[[2-(difluoromethoxy)phenyl]methyl]ethanamine?
The InChIKey is XUDKRFUAQOMVOZ-LLVKDONJSA-N. The full InChI is InChI=1S/C16H16BrF2NO/c1-11(12-6-4-7-14(17)9-12)20-10-13-5-2-3-8-15(13)21-16(18)19/h2-9,11,16,20H,10H2,1H3/t11-/m1/s1.
What are the key properties of (1R)-1-(3-bromophenyl)-N-[[2-(difluoromethoxy)phenyl]methyl]ethanamine?
(1R)-1-(3-bromophenyl)-N-[[2-(difluoromethoxy)phenyl]methyl]ethanamine has a molecular weight of 356.21 g/mol, XLogP of 4.90, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(3-bromophenyl)-N-[[2-(difluoromethoxy)phenyl]methyl]ethanamine is sourced from PubChem (CID 29281708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).