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

C17H20FN — CID 43096156

IUPACN-[2-(4-fluorophenyl)ethyl]-1-(4-methylphenyl)ethanamine
SMILESCc1ccc(C(C)NCCc2ccc(F)cc2)cc1
InChIInChI=1S/C17H20FN/c1-13-3-7-16(8-4-13)14(2)19-12-11-15-5-9-17(18)10-6-15/h3-10,14,19H,11-12H2,1-2H3
InChIKeyIMNYMODYRVMYBK-UHFFFAOYSA-N
MW257.35 g/mol
LogP4.03
Rot. Bonds5

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

N-[2-(4-fluorophenyl)ethyl]-1-(4-methylphenyl)ethanamine (PubChem CID 43096156) has the molecular formula C17H20FN and a molecular weight of 257.35 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)ethyl]-1-(4-methylphenyl)ethanamine.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)ethyl]-1-(4-methylphenyl)ethanamine
PubChem CID43096156
Molecular FormulaC17H20FN
Molecular Weight257.35 g/mol
Exact Mass257.16
IUPAC NameN-[2-(4-fluorophenyl)ethyl]-1-(4-methylphenyl)ethanamine
SMILESCc1ccc(C(C)NCCc2ccc(F)cc2)cc1
InChIInChI=1S/C17H20FN/c1-13-3-7-16(8-4-13)14(2)19-12-11-15-5-9-17(18)10-6-15/h3-10,14,19H,11-12H2,1-2H3
InChIKeyIMNYMODYRVMYBK-UHFFFAOYSA-N
XLogP4.03
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.35
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-bromophenyl)-N-[2-(4-fluorophenyl)ethyl]ethanamine
CID 43191748
4-[1-[2-(4-fluorophenyl)ethylamino]ethyl]-N,N-dimethylaniline
CID 43758274
(1R)-1-(4-fluorophenyl)-N-[2-(4-nitrophenyl)ethyl]ethanamine
CID 81347642
1-(4-fluorophenyl)-N-[2-(3-fluorophenyl)ethyl]ethanamine
CID 43401433
N-[2-(2-fluorophenyl)ethyl]-1-(4-methylphenyl)ethanamine
CID 43095856
1-(4-fluorophenyl)-N-[1-(4-methylphenyl)ethyl]propan-2-amine
CID 63008352
1-fluoro-4-methylbenzene;1-fluoro-4-[2-(4-methylphenyl)ethyl]benzene
CID 144561335
N'-[1-(4-fluorophenyl)ethyl]ethane-1,2-diamine
CID 60887762
N-[1-(4-methylphenyl)ethyl]-4-phenylbutan-1-amine
CID 114333277
(1R)-N-[(3,4-dimethylphenyl)methyl]-1-(4-fluorophenyl)ethanamine
CID 81347067
1-(4-ethylphenyl)-N-[2-(3-fluorophenyl)ethyl]ethanamine
CID 43565881
N-[2-(4-fluorophenyl)ethyl]-1-(3-methoxyphenyl)ethanamine
CID 43191768

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)ethyl]-1-(4-methylphenyl)ethanamine?
The IUPAC name of N-[2-(4-fluorophenyl)ethyl]-1-(4-methylphenyl)ethanamine (CID 43096156) is N-[2-(4-fluorophenyl)ethyl]-1-(4-methylphenyl)ethanamine.
What is the SMILES notation for N-[2-(4-fluorophenyl)ethyl]-1-(4-methylphenyl)ethanamine?
The canonical SMILES for N-[2-(4-fluorophenyl)ethyl]-1-(4-methylphenyl)ethanamine is Cc1ccc(C(C)NCCc2ccc(F)cc2)cc1.
What is the InChIKey of N-[2-(4-fluorophenyl)ethyl]-1-(4-methylphenyl)ethanamine?
The InChIKey is IMNYMODYRVMYBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN/c1-13-3-7-16(8-4-13)14(2)19-12-11-15-5-9-17(18)10-6-15/h3-10,14,19H,11-12H2,1-2H3.
What are the key properties of N-[2-(4-fluorophenyl)ethyl]-1-(4-methylphenyl)ethanamine?
N-[2-(4-fluorophenyl)ethyl]-1-(4-methylphenyl)ethanamine has a molecular weight of 257.35 g/mol, XLogP of 4.03, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)ethyl]-1-(4-methylphenyl)ethanamine is sourced from PubChem (CID 43096156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).