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

C15H15ClFN — CID 4718091

IUPACN-[(4-chlorophenyl)methyl]-2-(4-fluorophenyl)ethanamine
SMILESFc1ccc(CCNCc2ccc(Cl)cc2)cc1
InChIInChI=1S/C15H15ClFN/c16-14-5-1-13(2-6-14)11-18-10-9-12-3-7-15(17)8-4-12/h1-8,18H,9-11H2
InChIKeyCLFSLFZXGQPRIG-UHFFFAOYSA-N
MW263.74 g/mol
LogP3.81
Rot. Bonds5

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

N-[(4-chlorophenyl)methyl]-2-(4-fluorophenyl)ethanamine (PubChem CID 4718091) has the molecular formula C15H15ClFN and a molecular weight of 263.74 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-2-(4-fluorophenyl)ethanamine.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-2-(4-fluorophenyl)ethanamine
PubChem CID4718091
Molecular FormulaC15H15ClFN
Molecular Weight263.74 g/mol
Exact Mass263.09
IUPAC NameN-[(4-chlorophenyl)methyl]-2-(4-fluorophenyl)ethanamine
SMILESFc1ccc(CCNCc2ccc(Cl)cc2)cc1
InChIInChI=1S/C15H15ClFN/c16-14-5-1-13(2-6-14)11-18-10-9-12-3-7-15(17)8-4-12/h1-8,18H,9-11H2
InChIKeyCLFSLFZXGQPRIG-UHFFFAOYSA-N
XLogP3.81
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.74
LogP ≤ 53.81
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-[(3-chloro-4-fluorophenyl)methyl]-2-(4-chlorophenyl)ethanamine
CID 81143847
N-[(3-chlorophenyl)methyl]-2-(4-fluorophenyl)ethanamine;hydrochloride
CID 11958390
2-(4-chlorophenyl)-N-[(4-methylphenyl)methyl]ethanamine;hydrochloride
CID 17206419
N-[(3,4-dichlorophenyl)methyl]-2-(4-fluorophenyl)ethanamine;hydrochloride
CID 11958378
N-[(4-chlorophenyl)methyl]-3-[2-(4-fluorophenyl)ethylamino]propanamide
CID 109021640
4-[[2-(4-chlorophenyl)ethylamino]methyl]-2-fluorophenol
CID 107685294
2-(4-chlorophenyl)-N-[[3-[(4-fluorophenyl)methoxy]phenyl]methyl]ethanamine
CID 17208490
N-[(2-chloro-6-fluorophenyl)methyl]-2-(4-fluorophenyl)ethanamine
CID 4718315
1-[(4-chlorophenyl)methyl]-3-[2-(4-fluorophenyl)ethyl]urea
CID 46555601
2-(4-chlorophenyl)-N-[[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]ethanamine
CID 17208437
N-[[2-[(4-chlorophenyl)methoxy]phenyl]methyl]-2-(4-fluorophenyl)ethanamine;hydrochloride
CID 17292514
2-(5-chlorothiophen-2-yl)-N-[(4-fluorophenyl)methyl]ethanamine
CID 113223446

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-2-(4-fluorophenyl)ethanamine?
The IUPAC name of N-[(4-chlorophenyl)methyl]-2-(4-fluorophenyl)ethanamine (CID 4718091) is N-[(4-chlorophenyl)methyl]-2-(4-fluorophenyl)ethanamine.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-2-(4-fluorophenyl)ethanamine?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-2-(4-fluorophenyl)ethanamine is Fc1ccc(CCNCc2ccc(Cl)cc2)cc1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-2-(4-fluorophenyl)ethanamine?
The InChIKey is CLFSLFZXGQPRIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClFN/c16-14-5-1-13(2-6-14)11-18-10-9-12-3-7-15(17)8-4-12/h1-8,18H,9-11H2.
What are the key properties of N-[(4-chlorophenyl)methyl]-2-(4-fluorophenyl)ethanamine?
N-[(4-chlorophenyl)methyl]-2-(4-fluorophenyl)ethanamine has a molecular weight of 263.74 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-2-(4-fluorophenyl)ethanamine is sourced from PubChem (CID 4718091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).