2-(3-bromophenyl)-1-(2,4,5-trifluorophenyl)ethanamine

C14H11BrF3N — CID 103301920

IUPAC2-(3-bromophenyl)-1-(2,4,5-trifluorophenyl)ethanamine
SMILESNC(Cc1cccc(Br)c1)c1cc(F)c(F)cc1F
InChIInChI=1S/C14H11BrF3N/c15-9-3-1-2-8(4-9)5-14(19)10-6-12(17)13(18)7-11(10)16/h1-4,6-7,14H,5,19H2
InChIKeyUFUPUEDBKXUGOH-UHFFFAOYSA-N
MW330.15 g/mol
LogP4.11
Rot. Bonds3

About 2-(3-bromophenyl)-1-(2,4,5-trifluorophenyl)ethanamine

2-(3-bromophenyl)-1-(2,4,5-trifluorophenyl)ethanamine (PubChem CID 103301920) has the molecular formula C14H11BrF3N and a molecular weight of 330.15 g/mol. Its IUPAC name is 2-(3-bromophenyl)-1-(2,4,5-trifluorophenyl)ethanamine.

Molecular Properties

Compound Name2-(3-bromophenyl)-1-(2,4,5-trifluorophenyl)ethanamine
PubChem CID103301920
Molecular FormulaC14H11BrF3N
Molecular Weight330.15 g/mol
Exact Mass329.00
IUPAC Name2-(3-bromophenyl)-1-(2,4,5-trifluorophenyl)ethanamine
SMILESNC(Cc1cccc(Br)c1)c1cc(F)c(F)cc1F
InChIInChI=1S/C14H11BrF3N/c15-9-3-1-2-8(4-9)5-14(19)10-6-12(17)13(18)7-11(10)16/h1-4,6-7,14H,5,19H2
InChIKeyUFUPUEDBKXUGOH-UHFFFAOYSA-N
XLogP4.11
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.15
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

2-(3-bromophenyl)-1-(2,5-dichlorophenyl)ethanamine
CID 63412142
2-(3-bromophenyl)-1-naphthalen-1-ylethanamine
CID 63412102
2-(4-fluorophenyl)-1-(2,4,5-trifluorophenyl)ethanamine
CID 103301785
2-(3-bromophenyl)-1-(2-chlorofuran-3-yl)ethanamine
CID 106687863
2-(3-bromophenyl)-1-(3,5-dichlorophenyl)ethanamine
CID 55225085
2-(3-bromophenyl)-1-(4-chlorophenyl)ethanamine
CID 60820505
1-[1-bromo-2-(3-bromophenyl)ethyl]-2-chloro-4,5-difluorobenzene
CID 107477529
(2S)-2-amino-3-(3-bromophenyl)propan-1-ol;hydrochloride
CID 178200029
2-(3-bromophenyl)-1-(4-propan-2-ylphenyl)ethanamine
CID 60819321
2-(3-bromophenyl)-1-(4-methylphenyl)ethanamine
CID 60820005
3-(3-bromophenyl)-2-(2-fluorophenyl)propan-1-amine
CID 79448953
2-(3-bromophenyl)-1-isoquinolin-8-ylethanamine
CID 103137033

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-1-(2,4,5-trifluorophenyl)ethanamine?
The IUPAC name of 2-(3-bromophenyl)-1-(2,4,5-trifluorophenyl)ethanamine (CID 103301920) is 2-(3-bromophenyl)-1-(2,4,5-trifluorophenyl)ethanamine.
What is the SMILES notation for 2-(3-bromophenyl)-1-(2,4,5-trifluorophenyl)ethanamine?
The canonical SMILES for 2-(3-bromophenyl)-1-(2,4,5-trifluorophenyl)ethanamine is NC(Cc1cccc(Br)c1)c1cc(F)c(F)cc1F.
What is the InChIKey of 2-(3-bromophenyl)-1-(2,4,5-trifluorophenyl)ethanamine?
The InChIKey is UFUPUEDBKXUGOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrF3N/c15-9-3-1-2-8(4-9)5-14(19)10-6-12(17)13(18)7-11(10)16/h1-4,6-7,14H,5,19H2.
What are the key properties of 2-(3-bromophenyl)-1-(2,4,5-trifluorophenyl)ethanamine?
2-(3-bromophenyl)-1-(2,4,5-trifluorophenyl)ethanamine has a molecular weight of 330.15 g/mol, XLogP of 4.11, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-1-(2,4,5-trifluorophenyl)ethanamine is sourced from PubChem (CID 103301920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).