N-[(2-chloro-6-fluorophenyl)methyl]-2-(4-fluorophenyl)ethanamine

C15H14ClF2N — CID 4718315

IUPACN-[(2-chloro-6-fluorophenyl)methyl]-2-(4-fluorophenyl)ethanamine
SMILESFc1ccc(CCNCc2c(F)cccc2Cl)cc1
InChIInChI=1S/C15H14ClF2N/c16-14-2-1-3-15(18)13(14)10-19-9-8-11-4-6-12(17)7-5-11/h1-7,19H,8-10H2
InChIKeyQHAAPROFCQEUBT-UHFFFAOYSA-N
MW281.73 g/mol
LogP3.95
Rot. Bonds5

About N-[(2-chloro-6-fluorophenyl)methyl]-2-(4-fluorophenyl)ethanamine

N-[(2-chloro-6-fluorophenyl)methyl]-2-(4-fluorophenyl)ethanamine (PubChem CID 4718315) has the molecular formula C15H14ClF2N and a molecular weight of 281.73 g/mol. Its IUPAC name is N-[(2-chloro-6-fluorophenyl)methyl]-2-(4-fluorophenyl)ethanamine.

Molecular Properties

Compound NameN-[(2-chloro-6-fluorophenyl)methyl]-2-(4-fluorophenyl)ethanamine
PubChem CID4718315
Molecular FormulaC15H14ClF2N
Molecular Weight281.73 g/mol
Exact Mass281.08
IUPAC NameN-[(2-chloro-6-fluorophenyl)methyl]-2-(4-fluorophenyl)ethanamine
SMILESFc1ccc(CCNCc2c(F)cccc2Cl)cc1
InChIInChI=1S/C15H14ClF2N/c16-14-2-1-3-15(18)13(14)10-19-9-8-11-4-6-12(17)7-5-11/h1-7,19H,8-10H2
InChIKeyQHAAPROFCQEUBT-UHFFFAOYSA-N
XLogP3.95
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.73
LogP ≤ 53.95
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-[(2-chloro-6-fluorophenyl)methyl]-2-pyridin-4-ylethanamine
CID 54944255
4-[2-[(2-chloro-6-fluorophenyl)methylamino]ethyl]benzenesulfonamide;hydrochloride
CID 2969096
N-[(2-chloro-6-fluorophenyl)methyl]-2-(3-methoxyphenyl)ethanamine
CID 39402896
N-[(4-chlorophenyl)methyl]-2-(4-fluorophenyl)ethanamine
CID 4718091
N-[(2-chloro-6-fluorophenyl)methyl]-2-(2,4-dichlorophenyl)ethanamine;hydrochloride
CID 17209609
3-[(2-chloro-6-fluorophenyl)methylamino]propanenitrile
CID 28728531
N'-[(2-chloro-6-fluorophenyl)methyl]-N-ethylpropane-1,3-diamine
CID 17215446
N-[(3-chlorophenyl)methyl]-2-(4-fluorophenyl)ethanamine;hydrochloride
CID 11958390
N-[(3,4-dichlorophenyl)methyl]-2-(4-fluorophenyl)ethanamine;hydrochloride
CID 11958378
2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 94726162
N-[(2-chloro-6-fluorophenyl)methyl]-2,2-difluoroethanamine
CID 115405686
N-[(2-chloro-6-fluorophenyl)methyl]-N',N'-diethylethane-1,2-diamine;dihydrochloride
CID 17294849

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-6-fluorophenyl)methyl]-2-(4-fluorophenyl)ethanamine?
The IUPAC name of N-[(2-chloro-6-fluorophenyl)methyl]-2-(4-fluorophenyl)ethanamine (CID 4718315) is N-[(2-chloro-6-fluorophenyl)methyl]-2-(4-fluorophenyl)ethanamine.
What is the SMILES notation for N-[(2-chloro-6-fluorophenyl)methyl]-2-(4-fluorophenyl)ethanamine?
The canonical SMILES for N-[(2-chloro-6-fluorophenyl)methyl]-2-(4-fluorophenyl)ethanamine is Fc1ccc(CCNCc2c(F)cccc2Cl)cc1.
What is the InChIKey of N-[(2-chloro-6-fluorophenyl)methyl]-2-(4-fluorophenyl)ethanamine?
The InChIKey is QHAAPROFCQEUBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClF2N/c16-14-2-1-3-15(18)13(14)10-19-9-8-11-4-6-12(17)7-5-11/h1-7,19H,8-10H2.
What are the key properties of N-[(2-chloro-6-fluorophenyl)methyl]-2-(4-fluorophenyl)ethanamine?
N-[(2-chloro-6-fluorophenyl)methyl]-2-(4-fluorophenyl)ethanamine has a molecular weight of 281.73 g/mol, XLogP of 3.95, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-6-fluorophenyl)methyl]-2-(4-fluorophenyl)ethanamine is sourced from PubChem (CID 4718315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).