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

C15H14Cl2FN — CID 81143847

IUPACN-[(3-chloro-4-fluorophenyl)methyl]-2-(4-chlorophenyl)ethanamine
SMILESFc1ccc(CNCCc2ccc(Cl)cc2)cc1Cl
InChIInChI=1S/C15H14Cl2FN/c16-13-4-1-11(2-5-13)7-8-19-10-12-3-6-15(18)14(17)9-12/h1-6,9,19H,7-8,10H2
InChIKeyZYYMCUKRNALBIJ-UHFFFAOYSA-N
MW298.19 g/mol
LogP4.46
Rot. Bonds5

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

N-[(3-chloro-4-fluorophenyl)methyl]-2-(4-chlorophenyl)ethanamine (PubChem CID 81143847) has the molecular formula C15H14Cl2FN and a molecular weight of 298.19 g/mol. Its IUPAC name is N-[(3-chloro-4-fluorophenyl)methyl]-2-(4-chlorophenyl)ethanamine.

Molecular Properties

Compound NameN-[(3-chloro-4-fluorophenyl)methyl]-2-(4-chlorophenyl)ethanamine
PubChem CID81143847
Molecular FormulaC15H14Cl2FN
Molecular Weight298.19 g/mol
Exact Mass297.05
IUPAC NameN-[(3-chloro-4-fluorophenyl)methyl]-2-(4-chlorophenyl)ethanamine
SMILESFc1ccc(CNCCc2ccc(Cl)cc2)cc1Cl
InChIInChI=1S/C15H14Cl2FN/c16-13-4-1-11(2-5-13)7-8-19-10-12-3-6-15(18)14(17)9-12/h1-6,9,19H,7-8,10H2
InChIKeyZYYMCUKRNALBIJ-UHFFFAOYSA-N
XLogP4.46
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.19
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-chlorophenyl)methyl]-2-(4-fluorophenyl)ethanamine
CID 4718091
4-[[2-(4-chlorophenyl)ethylamino]methyl]-2-fluorophenol
CID 107685294
N'-[(3-chloro-4-fluorophenyl)methyl]-N-methylethane-1,2-diamine;ethane
CID 144872416
N-[(3,4-dichlorophenyl)methyl]-2-(4-fluorophenyl)ethanamine;hydrochloride
CID 11958378
N-[(3-chloro-4-fluorophenyl)methyl]ethanamine
CID 62538918
N-[(3-chloro-4-fluorophenyl)methyl]-1-(3-fluoro-4-methylphenyl)methanamine
CID 55244423
3-chloro-N-[(3-chloro-4-fluorophenyl)methyl]butan-1-amine
CID 103041347
N-[(3-chloro-4-fluorophenyl)methyl]-2-(1,3-thiazol-4-yl)ethanamine
CID 81145010
N-[(3-chloro-4-fluorophenyl)methyl]-2-(2-methylpyrazol-3-yl)ethanamine
CID 113442257
(2S)-4-[(3-chloro-4-fluorophenyl)methylamino]butan-2-ol
CID 97053093
N-[(3-chloro-4-fluorophenyl)methyl]-1-(4-fluoro-3-methylphenyl)methanamine
CID 62538091
2-(4-chlorophenyl)-N-[(3,5-dimethylphenyl)methyl]ethanamine
CID 60687979

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-4-fluorophenyl)methyl]-2-(4-chlorophenyl)ethanamine?
The IUPAC name of N-[(3-chloro-4-fluorophenyl)methyl]-2-(4-chlorophenyl)ethanamine (CID 81143847) is N-[(3-chloro-4-fluorophenyl)methyl]-2-(4-chlorophenyl)ethanamine.
What is the SMILES notation for N-[(3-chloro-4-fluorophenyl)methyl]-2-(4-chlorophenyl)ethanamine?
The canonical SMILES for N-[(3-chloro-4-fluorophenyl)methyl]-2-(4-chlorophenyl)ethanamine is Fc1ccc(CNCCc2ccc(Cl)cc2)cc1Cl.
What is the InChIKey of N-[(3-chloro-4-fluorophenyl)methyl]-2-(4-chlorophenyl)ethanamine?
The InChIKey is ZYYMCUKRNALBIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2FN/c16-13-4-1-11(2-5-13)7-8-19-10-12-3-6-15(18)14(17)9-12/h1-6,9,19H,7-8,10H2.
What are the key properties of N-[(3-chloro-4-fluorophenyl)methyl]-2-(4-chlorophenyl)ethanamine?
N-[(3-chloro-4-fluorophenyl)methyl]-2-(4-chlorophenyl)ethanamine has a molecular weight of 298.19 g/mol, XLogP of 4.46, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-4-fluorophenyl)methyl]-2-(4-chlorophenyl)ethanamine is sourced from PubChem (CID 81143847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).