2-(4-fluorophenyl)-1-(2,4,5-trifluorophenyl)ethanamine

C14H11F4N — CID 103301785

IUPAC2-(4-fluorophenyl)-1-(2,4,5-trifluorophenyl)ethanamine
SMILESNC(Cc1ccc(F)cc1)c1cc(F)c(F)cc1F
InChIInChI=1S/C14H11F4N/c15-9-3-1-8(2-4-9)5-14(19)10-6-12(17)13(18)7-11(10)16/h1-4,6-7,14H,5,19H2
InChIKeyPDBLDEJUNRRRKV-UHFFFAOYSA-N
MW269.24 g/mol
LogP3.49
Rot. Bonds3

About 2-(4-fluorophenyl)-1-(2,4,5-trifluorophenyl)ethanamine

2-(4-fluorophenyl)-1-(2,4,5-trifluorophenyl)ethanamine (PubChem CID 103301785) has the molecular formula C14H11F4N and a molecular weight of 269.24 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-1-(2,4,5-trifluorophenyl)ethanamine.

Molecular Properties

Compound Name2-(4-fluorophenyl)-1-(2,4,5-trifluorophenyl)ethanamine
PubChem CID103301785
Molecular FormulaC14H11F4N
Molecular Weight269.24 g/mol
Exact Mass269.08
IUPAC Name2-(4-fluorophenyl)-1-(2,4,5-trifluorophenyl)ethanamine
SMILESNC(Cc1ccc(F)cc1)c1cc(F)c(F)cc1F
InChIInChI=1S/C14H11F4N/c15-9-3-1-8(2-4-9)5-14(19)10-6-12(17)13(18)7-11(10)16/h1-4,6-7,14H,5,19H2
InChIKeyPDBLDEJUNRRRKV-UHFFFAOYSA-N
XLogP3.49
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.24
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-(4-fluorophenyl)-1-(2,4,5-trifluorophenyl)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

1-(2-chloro-4,5-difluorophenyl)-2-(4-fluorophenyl)ethanamine
CID 107476079
2-(4-methoxyphenyl)-1-(2,4,5-trifluorophenyl)ethanamine
CID 103301772
1-(2-fluoro-4-methoxyphenyl)-2-(4-fluorophenyl)ethanamine
CID 43561226
2-(3-bromophenyl)-1-(2,4,5-trifluorophenyl)ethanamine
CID 103301920
(1R)-1,2-bis(4-fluorophenyl)ethanamine
CID 42058912
1-(4-chloro-2,5-difluorophenyl)-2-(4-methylphenyl)ethanamine
CID 82772910
1-(4-chloro-2,5-difluorophenyl)-2-(4-chloro-3-fluorophenyl)ethanamine
CID 107892584
1-(2-chloro-4-fluorophenyl)-2-(4-chlorophenyl)ethanamine
CID 61077601
1-(2,5-dimethylphenyl)-2-(4-fluorophenyl)ethanamine
CID 43198585
1-(2,4-difluoro-5-methylphenyl)-2-(4-methoxyphenyl)ethanamine
CID 79724876
1-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(4-fluorophenyl)ethanamine
CID 43330374
1-[2-(difluoromethoxy)phenyl]-2-(4-fluorophenyl)ethanamine
CID 61078331

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-1-(2,4,5-trifluorophenyl)ethanamine?
The IUPAC name of 2-(4-fluorophenyl)-1-(2,4,5-trifluorophenyl)ethanamine (CID 103301785) is 2-(4-fluorophenyl)-1-(2,4,5-trifluorophenyl)ethanamine.
What is the SMILES notation for 2-(4-fluorophenyl)-1-(2,4,5-trifluorophenyl)ethanamine?
The canonical SMILES for 2-(4-fluorophenyl)-1-(2,4,5-trifluorophenyl)ethanamine is NC(Cc1ccc(F)cc1)c1cc(F)c(F)cc1F.
What is the InChIKey of 2-(4-fluorophenyl)-1-(2,4,5-trifluorophenyl)ethanamine?
The InChIKey is PDBLDEJUNRRRKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F4N/c15-9-3-1-8(2-4-9)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-(4-fluorophenyl)-1-(2,4,5-trifluorophenyl)ethanamine?
2-(4-fluorophenyl)-1-(2,4,5-trifluorophenyl)ethanamine has a molecular weight of 269.24 g/mol, XLogP of 3.49, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-1-(2,4,5-trifluorophenyl)ethanamine is sourced from PubChem (CID 103301785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).