N-[(2-chloro-4-fluorophenyl)-(2,3,4-trifluorophenyl)methyl]ethanamine

C15H12ClF4N — CID 62944886

IUPACN-[(2-chloro-4-fluorophenyl)-(2,3,4-trifluorophenyl)methyl]ethanamine
SMILESCCNC(c1ccc(F)cc1Cl)c1ccc(F)c(F)c1F
InChIInChI=1S/C15H12ClF4N/c1-2-21-15(9-4-3-8(17)7-11(9)16)10-5-6-12(18)14(20)13(10)19/h3-7,15,21H,2H2,1H3
InChIKeyIITDAGHRPPULOC-UHFFFAOYSA-N
MW317.71 g/mol
LogP4.60
Rot. Bonds4

About N-[(2-chloro-4-fluorophenyl)-(2,3,4-trifluorophenyl)methyl]ethanamine

N-[(2-chloro-4-fluorophenyl)-(2,3,4-trifluorophenyl)methyl]ethanamine (PubChem CID 62944886) has the molecular formula C15H12ClF4N and a molecular weight of 317.71 g/mol. Its IUPAC name is N-[(2-chloro-4-fluorophenyl)-(2,3,4-trifluorophenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2-chloro-4-fluorophenyl)-(2,3,4-trifluorophenyl)methyl]ethanamine
PubChem CID62944886
Molecular FormulaC15H12ClF4N
Molecular Weight317.71 g/mol
Exact Mass317.06
IUPAC NameN-[(2-chloro-4-fluorophenyl)-(2,3,4-trifluorophenyl)methyl]ethanamine
SMILESCCNC(c1ccc(F)cc1Cl)c1ccc(F)c(F)c1F
InChIInChI=1S/C15H12ClF4N/c1-2-21-15(9-4-3-8(17)7-11(9)16)10-5-6-12(18)14(20)13(10)19/h3-7,15,21H,2H2,1H3
InChIKeyIITDAGHRPPULOC-UHFFFAOYSA-N
XLogP4.60
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.71
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-[(2-chloro-4-fluorophenyl)-(2,3,4-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-[(2-bromo-5-fluorophenyl)-(2,3,4-trifluorophenyl)methyl]ethanamine
CID 115855214
N-[(2-chloro-4,5-dimethylphenyl)-(2-chloro-4-fluorophenyl)methyl]ethanamine
CID 115484037
N-[(4-chloro-3-fluorophenyl)-(2,3,4-trifluorophenyl)methyl]ethanamine
CID 107993159
N-[(2,6-dichlorophenyl)-(2,3,4-trifluorophenyl)methyl]ethanamine
CID 115855132
N-[(4-bromo-2-chlorophenyl)-(2,4-difluorophenyl)methyl]ethanamine
CID 43805280
N-[(2-chloro-4-fluorophenyl)-(2-methoxyphenyl)methyl]ethanamine
CID 62945872
N-[(5-chloro-2-fluorophenyl)-(2,5-difluorophenyl)methyl]ethanamine
CID 43490182
N-[(2-chlorofuran-3-yl)-(2,3,4-trifluorophenyl)methyl]ethanamine
CID 106692004
N-[(2-chloro-4-fluorophenyl)-(2,5-difluorophenyl)methyl]propan-1-amine
CID 43495680
N-[(3-bromo-2-chlorophenyl)-(2,3,4-trifluorophenyl)methyl]ethanamine
CID 115855252
N-[(4-chloro-2-fluorophenyl)-(2,5-difluorophenyl)methyl]ethanamine
CID 43490184
N-[(3-bromo-2-fluorophenyl)-(2,4-dichlorophenyl)methyl]ethanamine
CID 106647833

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-4-fluorophenyl)-(2,3,4-trifluorophenyl)methyl]ethanamine?
The IUPAC name of N-[(2-chloro-4-fluorophenyl)-(2,3,4-trifluorophenyl)methyl]ethanamine (CID 62944886) is N-[(2-chloro-4-fluorophenyl)-(2,3,4-trifluorophenyl)methyl]ethanamine.
What is the SMILES notation for N-[(2-chloro-4-fluorophenyl)-(2,3,4-trifluorophenyl)methyl]ethanamine?
The canonical SMILES for N-[(2-chloro-4-fluorophenyl)-(2,3,4-trifluorophenyl)methyl]ethanamine is CCNC(c1ccc(F)cc1Cl)c1ccc(F)c(F)c1F.
What is the InChIKey of N-[(2-chloro-4-fluorophenyl)-(2,3,4-trifluorophenyl)methyl]ethanamine?
The InChIKey is IITDAGHRPPULOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClF4N/c1-2-21-15(9-4-3-8(17)7-11(9)16)10-5-6-12(18)14(20)13(10)19/h3-7,15,21H,2H2,1H3.
What are the key properties of N-[(2-chloro-4-fluorophenyl)-(2,3,4-trifluorophenyl)methyl]ethanamine?
N-[(2-chloro-4-fluorophenyl)-(2,3,4-trifluorophenyl)methyl]ethanamine has a molecular weight of 317.71 g/mol, XLogP of 4.60, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-4-fluorophenyl)-(2,3,4-trifluorophenyl)methyl]ethanamine is sourced from PubChem (CID 62944886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).