2-(4-bromophenyl)-1-[3-(difluoromethoxy)phenyl]ethanamine

C15H14BrF2NO — CID 61079788

IUPAC2-(4-bromophenyl)-1-[3-(difluoromethoxy)phenyl]ethanamine
SMILESNC(Cc1ccc(Br)cc1)c1cccc(OC(F)F)c1
InChIInChI=1S/C15H14BrF2NO/c16-12-6-4-10(5-7-12)8-14(19)11-2-1-3-13(9-11)20-15(17)18/h1-7,9,14-15H,8,19H2
InChIKeyIDPGMPRGMIUEDV-UHFFFAOYSA-N
MW342.18 g/mol
LogP4.29
Rot. Bonds5

About 2-(4-bromophenyl)-1-[3-(difluoromethoxy)phenyl]ethanamine

2-(4-bromophenyl)-1-[3-(difluoromethoxy)phenyl]ethanamine (PubChem CID 61079788) has the molecular formula C15H14BrF2NO and a molecular weight of 342.18 g/mol. Its IUPAC name is 2-(4-bromophenyl)-1-[3-(difluoromethoxy)phenyl]ethanamine.

Molecular Properties

Compound Name2-(4-bromophenyl)-1-[3-(difluoromethoxy)phenyl]ethanamine
PubChem CID61079788
Molecular FormulaC15H14BrF2NO
Molecular Weight342.18 g/mol
Exact Mass341.02
IUPAC Name2-(4-bromophenyl)-1-[3-(difluoromethoxy)phenyl]ethanamine
SMILESNC(Cc1ccc(Br)cc1)c1cccc(OC(F)F)c1
InChIInChI=1S/C15H14BrF2NO/c16-12-6-4-10(5-7-12)8-14(19)11-2-1-3-13(9-11)20-15(17)18/h1-7,9,14-15H,8,19H2
InChIKeyIDPGMPRGMIUEDV-UHFFFAOYSA-N
XLogP4.29
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.18
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-(difluoromethoxy)phenyl]-2-methoxyethanamine
CID 112684585
3-amino-3-[3-(difluoromethoxy)phenyl]propan-1-ol
CID 170874621
1-[3-(difluoromethoxy)phenyl]-2-(1-ethylpyrazol-4-yl)ethanamine
CID 115822923
(1R)-1-[3-(difluoromethoxy)phenyl]-3-methylbutan-1-amine;hydrochloride
CID 171206124
(1S)-1-[3-(difluoromethoxy)phenyl]pentane-1,5-diamine
CID 171225688
(1R)-1-[3-(difluoromethoxy)phenyl]butane-1,4-diamine;hydrochloride
CID 171206110
(1S,2R)-1-amino-1-[3-(difluoromethoxy)phenyl]-3-phenylpropan-2-ol
CID 171268459
2-(2,4-dichlorophenyl)-1-[3-(difluoromethoxy)phenyl]ethanamine
CID 115840311
1-[3-(difluoromethoxy)phenyl]-2-(4-fluoro-2-methylphenyl)ethanamine
CID 105051297
3-[1-amino-2-(4-bromophenyl)ethyl]-N,N-dimethylaniline
CID 105089022
1-[3-(difluoromethoxy)phenyl]nonan-1-amine
CID 115835822
(1S)-1-[3-(difluoromethoxy)phenyl]pent-4-en-1-amine
CID 171225720

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-1-[3-(difluoromethoxy)phenyl]ethanamine?
The IUPAC name of 2-(4-bromophenyl)-1-[3-(difluoromethoxy)phenyl]ethanamine (CID 61079788) is 2-(4-bromophenyl)-1-[3-(difluoromethoxy)phenyl]ethanamine.
What is the SMILES notation for 2-(4-bromophenyl)-1-[3-(difluoromethoxy)phenyl]ethanamine?
The canonical SMILES for 2-(4-bromophenyl)-1-[3-(difluoromethoxy)phenyl]ethanamine is NC(Cc1ccc(Br)cc1)c1cccc(OC(F)F)c1.
What is the InChIKey of 2-(4-bromophenyl)-1-[3-(difluoromethoxy)phenyl]ethanamine?
The InChIKey is IDPGMPRGMIUEDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrF2NO/c16-12-6-4-10(5-7-12)8-14(19)11-2-1-3-13(9-11)20-15(17)18/h1-7,9,14-15H,8,19H2.
What are the key properties of 2-(4-bromophenyl)-1-[3-(difluoromethoxy)phenyl]ethanamine?
2-(4-bromophenyl)-1-[3-(difluoromethoxy)phenyl]ethanamine has a molecular weight of 342.18 g/mol, XLogP of 4.29, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-1-[3-(difluoromethoxy)phenyl]ethanamine is sourced from PubChem (CID 61079788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).