1-(4-ethylphenyl)-N-[2-(3-fluorophenyl)ethyl]ethanamine

C18H22FN — CID 43565881

IUPAC1-(4-ethylphenyl)-N-[2-(3-fluorophenyl)ethyl]ethanamine
SMILESCCc1ccc(C(C)NCCc2cccc(F)c2)cc1
InChIInChI=1S/C18H22FN/c1-3-15-7-9-17(10-8-15)14(2)20-12-11-16-5-4-6-18(19)13-16/h4-10,13-14,20H,3,11-12H2,1-2H3
InChIKeyUEOPPQJAZQLWEG-UHFFFAOYSA-N
MW271.38 g/mol
LogP4.28
Rot. Bonds6

About 1-(4-ethylphenyl)-N-[2-(3-fluorophenyl)ethyl]ethanamine

1-(4-ethylphenyl)-N-[2-(3-fluorophenyl)ethyl]ethanamine (PubChem CID 43565881) has the molecular formula C18H22FN and a molecular weight of 271.38 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-N-[2-(3-fluorophenyl)ethyl]ethanamine.

Molecular Properties

Compound Name1-(4-ethylphenyl)-N-[2-(3-fluorophenyl)ethyl]ethanamine
PubChem CID43565881
Molecular FormulaC18H22FN
Molecular Weight271.38 g/mol
Exact Mass271.17
IUPAC Name1-(4-ethylphenyl)-N-[2-(3-fluorophenyl)ethyl]ethanamine
SMILESCCc1ccc(C(C)NCCc2cccc(F)c2)cc1
InChIInChI=1S/C18H22FN/c1-3-15-7-9-17(10-8-15)14(2)20-12-11-16-5-4-6-18(19)13-16/h4-10,13-14,20H,3,11-12H2,1-2H3
InChIKeyUEOPPQJAZQLWEG-UHFFFAOYSA-N
XLogP4.28
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.38
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-fluorophenyl)-N-[2-(3-fluorophenyl)ethyl]ethanamine
CID 43401433
1-(4-bromophenyl)-N-[2-(3-fluorophenyl)ethyl]ethanamine
CID 43565956
1-(4-ethylphenyl)-N-[2-(3-methylphenyl)ethyl]ethanamine
CID 63477985
1-(3,4-difluorophenyl)-N-[2-(3-fluorophenyl)ethyl]ethanamine
CID 43565905
(2S)-N-[2-(3-fluorophenyl)ethyl]butan-2-amine
CID 93246045
N-[2-(3-fluorophenyl)ethyl]butan-2-amine
CID 43565886
N-[2-(3-fluorophenyl)ethyl]-1-(5-fluoro-2-pyridinyl)ethanamine
CID 83117836
N-[1-(4-ethylphenyl)ethyl]-3-fluoroaniline
CID 43104035
N-[1-(4-ethylphenyl)ethyl]propan-1-amine
CID 43185208
1-(4-bromophenyl)-N-[2-(3,5-difluorophenyl)ethyl]ethanamine
CID 63476814
N-[2-(4-fluorophenyl)ethyl]-1-(4-methylphenyl)ethanamine
CID 43096156
(1R)-1-(4-chlorophenyl)-N-[(3-fluorophenyl)methyl]ethanamine
CID 28645160

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)-N-[2-(3-fluorophenyl)ethyl]ethanamine?
The IUPAC name of 1-(4-ethylphenyl)-N-[2-(3-fluorophenyl)ethyl]ethanamine (CID 43565881) is 1-(4-ethylphenyl)-N-[2-(3-fluorophenyl)ethyl]ethanamine.
What is the SMILES notation for 1-(4-ethylphenyl)-N-[2-(3-fluorophenyl)ethyl]ethanamine?
The canonical SMILES for 1-(4-ethylphenyl)-N-[2-(3-fluorophenyl)ethyl]ethanamine is CCc1ccc(C(C)NCCc2cccc(F)c2)cc1.
What is the InChIKey of 1-(4-ethylphenyl)-N-[2-(3-fluorophenyl)ethyl]ethanamine?
The InChIKey is UEOPPQJAZQLWEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN/c1-3-15-7-9-17(10-8-15)14(2)20-12-11-16-5-4-6-18(19)13-16/h4-10,13-14,20H,3,11-12H2,1-2H3.
What are the key properties of 1-(4-ethylphenyl)-N-[2-(3-fluorophenyl)ethyl]ethanamine?
1-(4-ethylphenyl)-N-[2-(3-fluorophenyl)ethyl]ethanamine has a molecular weight of 271.38 g/mol, XLogP of 4.28, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)-N-[2-(3-fluorophenyl)ethyl]ethanamine is sourced from PubChem (CID 43565881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).