2-(2,6-dichloro-4-fluorophenyl)-N-[(3,5-difluorophenyl)methyl]ethanamine

C15H12Cl2F3N — CID 118342869

IUPAC2-(2,6-dichloro-4-fluorophenyl)-N-[(3,5-difluorophenyl)methyl]ethanamine
SMILESFc1cc(F)cc(CNCCc2c(Cl)cc(F)cc2Cl)c1
InChIInChI=1S/C15H12Cl2F3N/c16-14-6-12(20)7-15(17)13(14)1-2-21-8-9-3-10(18)5-11(19)4-9/h3-7,21H,1-2,8H2
InChIKeySHEKUTQLGIAEDN-UHFFFAOYSA-N
MW334.17 g/mol
LogP4.74
Rot. Bonds5

About 2-(2,6-dichloro-4-fluorophenyl)-N-[(3,5-difluorophenyl)methyl]ethanamine

2-(2,6-dichloro-4-fluorophenyl)-N-[(3,5-difluorophenyl)methyl]ethanamine (PubChem CID 118342869) has the molecular formula C15H12Cl2F3N and a molecular weight of 334.17 g/mol. Its IUPAC name is 2-(2,6-dichloro-4-fluorophenyl)-N-[(3,5-difluorophenyl)methyl]ethanamine.

Molecular Properties

Compound Name2-(2,6-dichloro-4-fluorophenyl)-N-[(3,5-difluorophenyl)methyl]ethanamine
PubChem CID118342869
Molecular FormulaC15H12Cl2F3N
Molecular Weight334.17 g/mol
Exact Mass333.03
IUPAC Name2-(2,6-dichloro-4-fluorophenyl)-N-[(3,5-difluorophenyl)methyl]ethanamine
SMILESFc1cc(F)cc(CNCCc2c(Cl)cc(F)cc2Cl)c1
InChIInChI=1S/C15H12Cl2F3N/c16-14-6-12(20)7-15(17)13(14)1-2-21-8-9-3-10(18)5-11(19)4-9/h3-7,21H,1-2,8H2
InChIKeySHEKUTQLGIAEDN-UHFFFAOYSA-N
XLogP4.74
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.17
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-(2,6-dichloro-4-fluorophenyl)-N-[(3,5-difluorophenyl)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-chloro-5-fluorophenyl)methyl]-2-(2,4-dichlorophenyl)ethanamine
CID 114452144
N-[(3-chlorophenyl)methyl]-2-(3,5-difluorophenyl)ethanamine
CID 62315704
N-[(3,5-difluorophenyl)methyl]-2-thiophen-2-ylethanamine
CID 115767520
N-[(3,5-difluorophenyl)methyl]-3-methylbutan-1-amine
CID 21355559
2-(3,5-difluorophenyl)-N-[(3,4-difluorophenyl)methyl]ethanamine
CID 62316403
2-chloro-6-[[2-(3,5-difluorophenyl)ethylamino]methyl]phenol
CID 115905940
2-bromo-N-[(3-bromo-5-fluorophenyl)methyl]ethanamine
CID 114505284
N-[(3,4-dichlorophenyl)methyl]-2-(4-fluorophenyl)ethanamine;hydrochloride
CID 11958378
N-[(3,5-difluorophenyl)methyl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine
CID 103851591
2-(3,5-difluorophenyl)-N-(1,2-oxazol-4-ylmethyl)ethanamine
CID 62603701
N-[(3,5-difluorophenyl)methyl]-2-piperidin-1-ylethanamine
CID 112705216
3-[(3,5-difluorophenyl)methylamino]propane-1-sulfonamide
CID 106528429

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dichloro-4-fluorophenyl)-N-[(3,5-difluorophenyl)methyl]ethanamine?
The IUPAC name of 2-(2,6-dichloro-4-fluorophenyl)-N-[(3,5-difluorophenyl)methyl]ethanamine (CID 118342869) is 2-(2,6-dichloro-4-fluorophenyl)-N-[(3,5-difluorophenyl)methyl]ethanamine.
What is the SMILES notation for 2-(2,6-dichloro-4-fluorophenyl)-N-[(3,5-difluorophenyl)methyl]ethanamine?
The canonical SMILES for 2-(2,6-dichloro-4-fluorophenyl)-N-[(3,5-difluorophenyl)methyl]ethanamine is Fc1cc(F)cc(CNCCc2c(Cl)cc(F)cc2Cl)c1.
What is the InChIKey of 2-(2,6-dichloro-4-fluorophenyl)-N-[(3,5-difluorophenyl)methyl]ethanamine?
The InChIKey is SHEKUTQLGIAEDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2F3N/c16-14-6-12(20)7-15(17)13(14)1-2-21-8-9-3-10(18)5-11(19)4-9/h3-7,21H,1-2,8H2.
What are the key properties of 2-(2,6-dichloro-4-fluorophenyl)-N-[(3,5-difluorophenyl)methyl]ethanamine?
2-(2,6-dichloro-4-fluorophenyl)-N-[(3,5-difluorophenyl)methyl]ethanamine has a molecular weight of 334.17 g/mol, XLogP of 4.74, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dichloro-4-fluorophenyl)-N-[(3,5-difluorophenyl)methyl]ethanamine is sourced from PubChem (CID 118342869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).