N-ethyl-1-[5-(2,3,4-trifluorophenyl)furan-2-yl]ethanamine

C14H14F3NO — CID 62499724

IUPACN-ethyl-1-[5-(2,3,4-trifluorophenyl)furan-2-yl]ethanamine
SMILESCCNC(C)c1ccc(-c2ccc(F)c(F)c2F)o1
InChIInChI=1S/C14H14F3NO/c1-3-18-8(2)11-6-7-12(19-11)9-4-5-10(15)14(17)13(9)16/h4-8,18H,3H2,1-2H3
InChIKeyMGGKCTRRIZMGHT-UHFFFAOYSA-N
MW269.27 g/mol
LogP4.03
Rot. Bonds4

About N-ethyl-1-[5-(2,3,4-trifluorophenyl)furan-2-yl]ethanamine

N-ethyl-1-[5-(2,3,4-trifluorophenyl)furan-2-yl]ethanamine (PubChem CID 62499724) has the molecular formula C14H14F3NO and a molecular weight of 269.27 g/mol. Its IUPAC name is N-ethyl-1-[5-(2,3,4-trifluorophenyl)furan-2-yl]ethanamine.

Molecular Properties

Compound NameN-ethyl-1-[5-(2,3,4-trifluorophenyl)furan-2-yl]ethanamine
PubChem CID62499724
Molecular FormulaC14H14F3NO
Molecular Weight269.27 g/mol
Exact Mass269.10
IUPAC NameN-ethyl-1-[5-(2,3,4-trifluorophenyl)furan-2-yl]ethanamine
SMILESCCNC(C)c1ccc(-c2ccc(F)c(F)c2F)o1
InChIInChI=1S/C14H14F3NO/c1-3-18-8(2)11-6-7-12(19-11)9-4-5-10(15)14(17)13(9)16/h4-8,18H,3H2,1-2H3
InChIKeyMGGKCTRRIZMGHT-UHFFFAOYSA-N
XLogP4.03
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.27
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze N-ethyl-1-[5-(2,3,4-trifluorophenyl)furan-2-yl]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-ethyl-1-[5-(2,3,4-trifluorophenyl)-1,3-oxazol-2-yl]ethanamine
CID 79756753
N-ethyl-1-[5-(4-fluoro-3-methylphenyl)furan-2-yl]ethanamine
CID 62812039
N-ethyl-1-[5-(2-fluoro-4-nitrophenyl)furan-2-yl]ethanamine
CID 62499240
1-[5-(2,4-dimethylphenyl)furan-2-yl]-N-ethylethanamine
CID 55083630
1-[5-(3,5-dichloro-4-fluorophenyl)furan-2-yl]-N-ethylethanamine
CID 107577103
1-[5-(2-chlorophenyl)furan-2-yl]-N-ethylethanamine
CID 62499057
1-[5-(2-bromophenyl)furan-2-yl]-N-ethylethanamine
CID 62500358
1-[5-(2,3-difluorophenyl)furan-2-yl]-N-ethylpropan-1-amine
CID 62633461
1-[5-(2-chloro-5-methoxyphenyl)furan-2-yl]-N-ethylethanamine
CID 62498910
1-(4,7-difluoro-1-benzofuran-2-yl)-N-ethylethanamine
CID 65439618
1-[5-(4-bromo-3,5-dimethylphenyl)furan-2-yl]-N-ethylethanamine
CID 107577088
N-ethyl-1-[5-[4-methyl-3-(trifluoromethyl)phenyl]furan-2-yl]ethanamine
CID 63399021

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[5-(2,3,4-trifluorophenyl)furan-2-yl]ethanamine?
The IUPAC name of N-ethyl-1-[5-(2,3,4-trifluorophenyl)furan-2-yl]ethanamine (CID 62499724) is N-ethyl-1-[5-(2,3,4-trifluorophenyl)furan-2-yl]ethanamine.
What is the SMILES notation for N-ethyl-1-[5-(2,3,4-trifluorophenyl)furan-2-yl]ethanamine?
The canonical SMILES for N-ethyl-1-[5-(2,3,4-trifluorophenyl)furan-2-yl]ethanamine is CCNC(C)c1ccc(-c2ccc(F)c(F)c2F)o1.
What is the InChIKey of N-ethyl-1-[5-(2,3,4-trifluorophenyl)furan-2-yl]ethanamine?
The InChIKey is MGGKCTRRIZMGHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3NO/c1-3-18-8(2)11-6-7-12(19-11)9-4-5-10(15)14(17)13(9)16/h4-8,18H,3H2,1-2H3.
What are the key properties of N-ethyl-1-[5-(2,3,4-trifluorophenyl)furan-2-yl]ethanamine?
N-ethyl-1-[5-(2,3,4-trifluorophenyl)furan-2-yl]ethanamine has a molecular weight of 269.27 g/mol, XLogP of 4.03, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[5-(2,3,4-trifluorophenyl)furan-2-yl]ethanamine is sourced from PubChem (CID 62499724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).