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

C15H14Cl2FN — CID 43488909

IUPACN-[(2,6-dichlorophenyl)-(4-fluorophenyl)methyl]ethanamine
SMILESCCNC(c1ccc(F)cc1)c1c(Cl)cccc1Cl
InChIInChI=1S/C15H14Cl2FN/c1-2-19-15(10-6-8-11(18)9-7-10)14-12(16)4-3-5-13(14)17/h3-9,15,19H,2H2,1H3
InChIKeyBCHGHYWIMUEVOI-UHFFFAOYSA-N
MW298.19 g/mol
LogP4.83
Rot. Bonds4

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

N-[(2,6-dichlorophenyl)-(4-fluorophenyl)methyl]ethanamine (PubChem CID 43488909) has the molecular formula C15H14Cl2FN and a molecular weight of 298.19 g/mol. Its IUPAC name is N-[(2,6-dichlorophenyl)-(4-fluorophenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2,6-dichlorophenyl)-(4-fluorophenyl)methyl]ethanamine
PubChem CID43488909
Molecular FormulaC15H14Cl2FN
Molecular Weight298.19 g/mol
Exact Mass297.05
IUPAC NameN-[(2,6-dichlorophenyl)-(4-fluorophenyl)methyl]ethanamine
SMILESCCNC(c1ccc(F)cc1)c1c(Cl)cccc1Cl
InChIInChI=1S/C15H14Cl2FN/c1-2-19-15(10-6-8-11(18)9-7-10)14-12(16)4-3-5-13(14)17/h3-9,15,19H,2H2,1H3
InChIKeyBCHGHYWIMUEVOI-UHFFFAOYSA-N
XLogP4.83
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.19
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(2,6-dichlorophenyl)-(4-fluorophenyl)methyl]propan-1-amine
CID 43494722
N-[(2,6-dichlorophenyl)-(3,4-dichlorophenyl)methyl]ethanamine
CID 43492874
N-[(2-chloro-6-fluorophenyl)-(4-methylphenyl)methyl]ethanamine
CID 43489376
N-[(2-fluoro-6-methoxyphenyl)-(4-fluorophenyl)methyl]ethanamine
CID 65432269
N-[(2,6-dichlorophenyl)-(3-ethylphenyl)methyl]ethanamine
CID 105018508
N-[(2-chloro-6-fluorophenyl)-(3,5-dimethylphenyl)methyl]ethanamine
CID 115796556
N-[(3-bromo-4-fluorophenyl)-(2-chloro-6-fluorophenyl)methyl]ethanamine
CID 79747189
N-[(4-chlorophenyl)-(2,4,6-trifluorophenyl)methyl]ethanamine
CID 43490422
N-[(2,6-dichlorophenyl)-(3-propylphenyl)methyl]ethanamine
CID 105050234
N-[(2,6-dichlorophenyl)-(2,3,4-trifluorophenyl)methyl]ethanamine
CID 115855132
N-[(3-bromo-4-methoxyphenyl)-(2,6-dichlorophenyl)methyl]ethanamine
CID 43487810
N-[(2-chlorophenyl)-(3-fluorophenyl)methyl]ethanamine
CID 61030250

Frequently Asked Questions

What is the IUPAC name of N-[(2,6-dichlorophenyl)-(4-fluorophenyl)methyl]ethanamine?
The IUPAC name of N-[(2,6-dichlorophenyl)-(4-fluorophenyl)methyl]ethanamine (CID 43488909) is N-[(2,6-dichlorophenyl)-(4-fluorophenyl)methyl]ethanamine.
What is the SMILES notation for N-[(2,6-dichlorophenyl)-(4-fluorophenyl)methyl]ethanamine?
The canonical SMILES for N-[(2,6-dichlorophenyl)-(4-fluorophenyl)methyl]ethanamine is CCNC(c1ccc(F)cc1)c1c(Cl)cccc1Cl.
What is the InChIKey of N-[(2,6-dichlorophenyl)-(4-fluorophenyl)methyl]ethanamine?
The InChIKey is BCHGHYWIMUEVOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2FN/c1-2-19-15(10-6-8-11(18)9-7-10)14-12(16)4-3-5-13(14)17/h3-9,15,19H,2H2,1H3.
What are the key properties of N-[(2,6-dichlorophenyl)-(4-fluorophenyl)methyl]ethanamine?
N-[(2,6-dichlorophenyl)-(4-fluorophenyl)methyl]ethanamine has a molecular weight of 298.19 g/mol, XLogP of 4.83, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,6-dichlorophenyl)-(4-fluorophenyl)methyl]ethanamine is sourced from PubChem (CID 43488909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).