N-[1-(2-chlorophenyl)ethyl]-1-(4-fluorophenyl)ethanamine

C16H17ClFN — CID 43082311

IUPACN-[1-(2-chlorophenyl)ethyl]-1-(4-fluorophenyl)ethanamine
SMILESCC(NC(C)c1ccccc1Cl)c1ccc(F)cc1
InChIInChI=1S/C16H17ClFN/c1-11(13-7-9-14(18)10-8-13)19-12(2)15-5-3-4-6-16(15)17/h3-12,19H,1-2H3
InChIKeyVGYSFKNYFNJISQ-UHFFFAOYSA-N
MW277.77 g/mol
LogP4.89
Rot. Bonds4

About N-[1-(2-chlorophenyl)ethyl]-1-(4-fluorophenyl)ethanamine

N-[1-(2-chlorophenyl)ethyl]-1-(4-fluorophenyl)ethanamine (PubChem CID 43082311) has the molecular formula C16H17ClFN and a molecular weight of 277.77 g/mol. Its IUPAC name is N-[1-(2-chlorophenyl)ethyl]-1-(4-fluorophenyl)ethanamine.

Molecular Properties

Compound NameN-[1-(2-chlorophenyl)ethyl]-1-(4-fluorophenyl)ethanamine
PubChem CID43082311
Molecular FormulaC16H17ClFN
Molecular Weight277.77 g/mol
Exact Mass277.10
IUPAC NameN-[1-(2-chlorophenyl)ethyl]-1-(4-fluorophenyl)ethanamine
SMILESCC(NC(C)c1ccccc1Cl)c1ccc(F)cc1
InChIInChI=1S/C16H17ClFN/c1-11(13-7-9-14(18)10-8-13)19-12(2)15-5-3-4-6-16(15)17/h3-12,19H,1-2H3
InChIKeyVGYSFKNYFNJISQ-UHFFFAOYSA-N
XLogP4.89
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.77
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-chlorophenyl)ethyl]-1-(4-fluorophenyl)ethanamine?
The IUPAC name of N-[1-(2-chlorophenyl)ethyl]-1-(4-fluorophenyl)ethanamine (CID 43082311) is N-[1-(2-chlorophenyl)ethyl]-1-(4-fluorophenyl)ethanamine.
What is the SMILES notation for N-[1-(2-chlorophenyl)ethyl]-1-(4-fluorophenyl)ethanamine?
The canonical SMILES for N-[1-(2-chlorophenyl)ethyl]-1-(4-fluorophenyl)ethanamine is CC(NC(C)c1ccccc1Cl)c1ccc(F)cc1.
What is the InChIKey of N-[1-(2-chlorophenyl)ethyl]-1-(4-fluorophenyl)ethanamine?
The InChIKey is VGYSFKNYFNJISQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClFN/c1-11(13-7-9-14(18)10-8-13)19-12(2)15-5-3-4-6-16(15)17/h3-12,19H,1-2H3.
What are the key properties of N-[1-(2-chlorophenyl)ethyl]-1-(4-fluorophenyl)ethanamine?
N-[1-(2-chlorophenyl)ethyl]-1-(4-fluorophenyl)ethanamine has a molecular weight of 277.77 g/mol, XLogP of 4.89, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-chlorophenyl)ethyl]-1-(4-fluorophenyl)ethanamine is sourced from PubChem (CID 43082311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).