N-[(3-bromofuran-2-yl)-(2,4,6-trifluorophenyl)methyl]ethanamine

C13H11BrF3NO — CID 115861367

IUPACN-[(3-bromofuran-2-yl)-(2,4,6-trifluorophenyl)methyl]ethanamine
SMILESCCNC(c1occc1Br)c1c(F)cc(F)cc1F
InChIInChI=1S/C13H11BrF3NO/c1-2-18-12(13-8(14)3-4-19-13)11-9(16)5-7(15)6-10(11)17/h3-6,12,18H,2H2,1H3
InChIKeyUSORWXKCSMZJGI-UHFFFAOYSA-N
MW334.14 g/mol
LogP4.16
Rot. Bonds4

About N-[(3-bromofuran-2-yl)-(2,4,6-trifluorophenyl)methyl]ethanamine

N-[(3-bromofuran-2-yl)-(2,4,6-trifluorophenyl)methyl]ethanamine (PubChem CID 115861367) has the molecular formula C13H11BrF3NO and a molecular weight of 334.14 g/mol. Its IUPAC name is N-[(3-bromofuran-2-yl)-(2,4,6-trifluorophenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(3-bromofuran-2-yl)-(2,4,6-trifluorophenyl)methyl]ethanamine
PubChem CID115861367
Molecular FormulaC13H11BrF3NO
Molecular Weight334.14 g/mol
Exact Mass333.00
IUPAC NameN-[(3-bromofuran-2-yl)-(2,4,6-trifluorophenyl)methyl]ethanamine
SMILESCCNC(c1occc1Br)c1c(F)cc(F)cc1F
InChIInChI=1S/C13H11BrF3NO/c1-2-18-12(13-8(14)3-4-19-13)11-9(16)5-7(15)6-10(11)17/h3-6,12,18H,2H2,1H3
InChIKeyUSORWXKCSMZJGI-UHFFFAOYSA-N
XLogP4.16
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.14
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(3-bromofuran-2-yl)-(2,4,6-trifluorophenyl)methyl]ethanamine 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-[(3-bromofuran-2-yl)-(2,3-difluorophenyl)methyl]ethanamine
CID 115861384
N-[(2,5-dibromophenyl)-(2,4,6-trifluorophenyl)methyl]ethanamine
CID 65101679
N-[(3-bromofuran-2-yl)-(2-fluoro-3-methylphenyl)methyl]ethanamine
CID 115861624
N-[(3-bromofuran-2-yl)-(3-bromophenyl)methyl]ethanamine
CID 63943224
N-[(2-bromo-3-fluorophenyl)-(2,4,6-trifluorophenyl)methyl]ethanamine
CID 81499504
N-[(3-bromofuran-2-yl)-(4,5-dimethylthiophen-2-yl)methyl]ethanamine
CID 115861355
N-[(3-bromofuran-2-yl)-(5-chloro-2-methoxyphenyl)methyl]ethanamine
CID 115861522
N-[(5-bromo-2-methylphenyl)-(2,4,6-trifluorophenyl)methyl]ethanamine
CID 65308089
N-[(4-chlorophenyl)-(2,4,6-trifluorophenyl)methyl]ethanamine
CID 43490422
N-[(3-bromofuran-2-yl)-(1-methylpyrazol-3-yl)methyl]ethanamine
CID 65200330
N-[(4-bromo-1-methylpyrazol-5-yl)-(2,4,6-trifluorophenyl)methyl]ethanamine
CID 105054034
1-(3-bromofuran-2-yl)-N-ethyl-2-(3-fluorophenyl)sulfanylethanamine
CID 66072502

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromofuran-2-yl)-(2,4,6-trifluorophenyl)methyl]ethanamine?
The IUPAC name of N-[(3-bromofuran-2-yl)-(2,4,6-trifluorophenyl)methyl]ethanamine (CID 115861367) is N-[(3-bromofuran-2-yl)-(2,4,6-trifluorophenyl)methyl]ethanamine.
What is the SMILES notation for N-[(3-bromofuran-2-yl)-(2,4,6-trifluorophenyl)methyl]ethanamine?
The canonical SMILES for N-[(3-bromofuran-2-yl)-(2,4,6-trifluorophenyl)methyl]ethanamine is CCNC(c1occc1Br)c1c(F)cc(F)cc1F.
What is the InChIKey of N-[(3-bromofuran-2-yl)-(2,4,6-trifluorophenyl)methyl]ethanamine?
The InChIKey is USORWXKCSMZJGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrF3NO/c1-2-18-12(13-8(14)3-4-19-13)11-9(16)5-7(15)6-10(11)17/h3-6,12,18H,2H2,1H3.
What are the key properties of N-[(3-bromofuran-2-yl)-(2,4,6-trifluorophenyl)methyl]ethanamine?
N-[(3-bromofuran-2-yl)-(2,4,6-trifluorophenyl)methyl]ethanamine has a molecular weight of 334.14 g/mol, XLogP of 4.16, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromofuran-2-yl)-(2,4,6-trifluorophenyl)methyl]ethanamine is sourced from PubChem (CID 115861367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).