N-[1-(2-bromophenyl)ethyl]-3-(trifluoromethoxy)aniline

C15H13BrF3NO — CID 43095156

IUPACN-[1-(2-bromophenyl)ethyl]-3-(trifluoromethoxy)aniline
SMILESCC(Nc1cccc(OC(F)(F)F)c1)c1ccccc1Br
InChIInChI=1S/C15H13BrF3NO/c1-10(13-7-2-3-8-14(13)16)20-11-5-4-6-12(9-11)21-15(17,18)19/h2-10,20H,1H3
InChIKeySXUTVPLYKYEIJV-UHFFFAOYSA-N
MW360.17 g/mol
LogP5.52
Rot. Bonds4

About N-[1-(2-bromophenyl)ethyl]-3-(trifluoromethoxy)aniline

N-[1-(2-bromophenyl)ethyl]-3-(trifluoromethoxy)aniline (PubChem CID 43095156) has the molecular formula C15H13BrF3NO and a molecular weight of 360.17 g/mol. Its IUPAC name is N-[1-(2-bromophenyl)ethyl]-3-(trifluoromethoxy)aniline.

Molecular Properties

Compound NameN-[1-(2-bromophenyl)ethyl]-3-(trifluoromethoxy)aniline
PubChem CID43095156
Molecular FormulaC15H13BrF3NO
Molecular Weight360.17 g/mol
Exact Mass359.01
IUPAC NameN-[1-(2-bromophenyl)ethyl]-3-(trifluoromethoxy)aniline
SMILESCC(Nc1cccc(OC(F)(F)F)c1)c1ccccc1Br
InChIInChI=1S/C15H13BrF3NO/c1-10(13-7-2-3-8-14(13)16)20-11-5-4-6-12(9-11)21-15(17,18)19/h2-10,20H,1H3
InChIKeySXUTVPLYKYEIJV-UHFFFAOYSA-N
XLogP5.52
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.17
LogP ≤ 55.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1S)-1-(2-bromophenyl)ethyl]aniline;hydrochloride
CID 172883004
N-[1-(2-bromophenyl)ethyl]-4-fluoro-3-(trifluoromethyl)aniline
CID 63455430
(2-bromophenyl)-[3-(trifluoromethoxy)phenyl]methanamine
CID 62916544
[3-[1-(2-bromophenyl)ethylamino]phenyl]methanol
CID 43715152
N-[1-(2-bromophenyl)ethyl]-3-nitroaniline
CID 43718031
N-(1-ethoxypropan-2-yl)-3-(trifluoromethoxy)aniline
CID 113353765
ethyl 3-[1-(2-bromophenyl)ethylamino]benzoate;hydrochloride
CID 172883178
1-N,2-N-bis[3-(trifluoromethoxy)phenyl]benzene-1,2-diamine
CID 19351987
N-[3-(trifluoromethoxy)phenyl]propane-2-sulfonamide
CID 63000026
N-[1-(2-chlorophenyl)ethyl]-3-methoxyaniline
CID 43179240
3-bromo-N-[3-(trifluoromethoxy)phenyl]pyridin-2-amine
CID 63462667
2-bromo-N-[1-(2-bromophenyl)ethyl]-4-fluoroaniline
CID 43119409

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-bromophenyl)ethyl]-3-(trifluoromethoxy)aniline?
The IUPAC name of N-[1-(2-bromophenyl)ethyl]-3-(trifluoromethoxy)aniline (CID 43095156) is N-[1-(2-bromophenyl)ethyl]-3-(trifluoromethoxy)aniline.
What is the SMILES notation for N-[1-(2-bromophenyl)ethyl]-3-(trifluoromethoxy)aniline?
The canonical SMILES for N-[1-(2-bromophenyl)ethyl]-3-(trifluoromethoxy)aniline is CC(Nc1cccc(OC(F)(F)F)c1)c1ccccc1Br.
What is the InChIKey of N-[1-(2-bromophenyl)ethyl]-3-(trifluoromethoxy)aniline?
The InChIKey is SXUTVPLYKYEIJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrF3NO/c1-10(13-7-2-3-8-14(13)16)20-11-5-4-6-12(9-11)21-15(17,18)19/h2-10,20H,1H3.
What are the key properties of N-[1-(2-bromophenyl)ethyl]-3-(trifluoromethoxy)aniline?
N-[1-(2-bromophenyl)ethyl]-3-(trifluoromethoxy)aniline has a molecular weight of 360.17 g/mol, XLogP of 5.52, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-bromophenyl)ethyl]-3-(trifluoromethoxy)aniline is sourced from PubChem (CID 43095156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).