N-[1-(3-bromophenyl)ethyl]-2,2,2-trifluoroethanamine

C10H11BrF3N — CID 24697682

IUPACN-[1-(3-bromophenyl)ethyl]-2,2,2-trifluoroethanamine
SMILESCC(NCC(F)(F)F)c1cccc(Br)c1
InChIInChI=1S/C10H11BrF3N/c1-7(15-6-10(12,13)14)8-3-2-4-9(11)5-8/h2-5,7,15H,6H2,1H3
InChIKeyHYQQJUQVOJODOM-UHFFFAOYSA-N
MW282.10 g/mol
LogP3.66
Rot. Bonds3

About N-[1-(3-bromophenyl)ethyl]-2,2,2-trifluoroethanamine

N-[1-(3-bromophenyl)ethyl]-2,2,2-trifluoroethanamine (PubChem CID 24697682) has the molecular formula C10H11BrF3N and a molecular weight of 282.10 g/mol. Its IUPAC name is N-[1-(3-bromophenyl)ethyl]-2,2,2-trifluoroethanamine.

Molecular Properties

Compound NameN-[1-(3-bromophenyl)ethyl]-2,2,2-trifluoroethanamine
PubChem CID24697682
Molecular FormulaC10H11BrF3N
Molecular Weight282.10 g/mol
Exact Mass281.00
IUPAC NameN-[1-(3-bromophenyl)ethyl]-2,2,2-trifluoroethanamine
SMILESCC(NCC(F)(F)F)c1cccc(Br)c1
InChIInChI=1S/C10H11BrF3N/c1-7(15-6-10(12,13)14)8-3-2-4-9(11)5-8/h2-5,7,15H,6H2,1H3
InChIKeyHYQQJUQVOJODOM-UHFFFAOYSA-N
XLogP3.66
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.10
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-[1-(3-bromophenyl)ethyl]-2,2,2-trifluoroethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-(3-bromophenyl)ethyl]-2,2-dimethylpropan-1-amine
CID 61166809
N-[(1S)-1-(3-bromophenyl)ethyl]-2,2-difluoro-2-phenylethanamine
CID 104893366
N-[(1R)-1-(3-bromophenyl)ethyl]-4,4,4-trifluorobutan-1-amine
CID 115513834
3-[[(1R)-1-(3-bromophenyl)ethyl]amino]-1,1,1-trifluoropropan-2-ol
CID 81381755
(1S)-1-(3-bromophenyl)-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine
CID 104891274
N-[(1S)-1-(3-bromophenyl)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 81376338
N-[1-(4-bromophenyl)ethyl]-2,2,2-trifluoroethanamine;hydrochloride
CID 172883235
N-[1-(3-bromophenyl)ethyl]-3-methylbutan-1-amine
CID 43193038
(2R)-1-[[(1S)-1-(3-bromophenyl)ethyl]amino]propan-2-ol
CID 93082223
N-[1-(3-bromophenyl)ethyl]butan-1-amine
CID 43192396
(2S)-4-[[(1S)-1-(3-bromophenyl)ethyl]amino]butan-2-ol
CID 96784164
(E)-N-[(1S)-1-(3-bromophenyl)ethyl]but-2-en-1-amine
CID 107899131

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-bromophenyl)ethyl]-2,2,2-trifluoroethanamine?
The IUPAC name of N-[1-(3-bromophenyl)ethyl]-2,2,2-trifluoroethanamine (CID 24697682) is N-[1-(3-bromophenyl)ethyl]-2,2,2-trifluoroethanamine.
What is the SMILES notation for N-[1-(3-bromophenyl)ethyl]-2,2,2-trifluoroethanamine?
The canonical SMILES for N-[1-(3-bromophenyl)ethyl]-2,2,2-trifluoroethanamine is CC(NCC(F)(F)F)c1cccc(Br)c1.
What is the InChIKey of N-[1-(3-bromophenyl)ethyl]-2,2,2-trifluoroethanamine?
The InChIKey is HYQQJUQVOJODOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrF3N/c1-7(15-6-10(12,13)14)8-3-2-4-9(11)5-8/h2-5,7,15H,6H2,1H3.
What are the key properties of N-[1-(3-bromophenyl)ethyl]-2,2,2-trifluoroethanamine?
N-[1-(3-bromophenyl)ethyl]-2,2,2-trifluoroethanamine has a molecular weight of 282.10 g/mol, XLogP of 3.66, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-bromophenyl)ethyl]-2,2,2-trifluoroethanamine is sourced from PubChem (CID 24697682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).